Crystal structure and Hirshfeld surface analysis of dimethyl 4'-bromo-3-oxo-5-(thio-phen-2-yl)-3,4,5,6-tetra-hydro-[1,1'-biphen-yl]-2,4-di-carboxyl-ate.

In the title compound, C20H17BrO5S, mol-ecules are connected by inter-molecular C-H⋯S hydrogen bonds with R 2 2(10) ring motifs, forming ribbons along the b-axis direction. C-H⋯π inter-actions consolidate the ribbon structure while van der Waals forces between the ribbons ensure the cohesion of the crystal structure. According to a Hirshfeld surface analysis, H⋯H (40.5%), O⋯H/H⋯O (27.0%), C⋯H/H⋯C (13.9%) and Br⋯H/H⋯Br (11.7%) inter-actions are the most significant contributors to the crystal packing. The thio-phene ring and its adjacent di-carboxyl-ate group and the three adjacent carbon atoms of the central hexene ring to which they are attached were refined as disordered over two sets of sites having occupancies of 0.8378 (15) and 0.1622 (15). The thio-phene group is disordered by a rotation of 180° around one bond.

Establishing the criterion validity of an adapted dietary screener for Asian Americans amongst Chinese American adults.

OBJECTIVE: To assess the criterion validity of a dietary screener questionnaire adapted for Asian Americans (ADSQ) compared to Automated Self-Administered 24-Hour Dietary Assessment Tool (ASA-24) food diary data amongst Chinese American Adults (CHAs). The ADSQ incorporated example ethnic foods from six Asian American groups. Lessons learned with respect to translating the ADSQ from English into Simplified Chinese were also documented. DESIGN: Agreement between a two-day food diary (one weekend day and one weekday) and the ADSQ was assessed for vegetable, fruit, dairy, added sugar, fiber, calcium, and whole grain intake using paired t-tests to compare means and Spearman correlations to assess agreement between intake of food components. SETTING: Data were collected online and via phone interviews. PARTICIPANTS: Thirty-three CHAs aged 19-62 years (63.6% female). RESULTS: Mean differences were small for fruit, dairy, fiber, calcium, and whole grain intake, but were significantly different for vegetables and added sugar intake. Spearman correlations were < 0.5 and non-significant (p > 0.05) for all components. Both the ASA-24 and the ADSQ identified the same categories where CHAs intake is misaligned with dietary recommendations: whole grains, total fruit, and dairy. Difficulties were encountered in translating 13 out of 26 questions. CONCLUSIONS: The ADSQ may be a useful tool to identify intervention targets for improving dietary quality, but caution is warranted when interpreting vegetable and added sugar estimates. Differences in the English and Chinese languages underscore the need to take into account both literal translations and semantics in translating the ADSQ into other languages.

Crystal structures of (Z)-(ethene-1,2-di-yl)bis-(di-phenyl-phosphine sulfide) and its complex with PtII dichloride.

The crystal structures of (Z)-(ethene-1,2-di-yl)bis-(di-phenyl-phosphine sulfide), C26H22P2S2 (I), along with its complex with PtII dichloride, di-chlorido[(Z)-(ethene-1,2-di-yl)bis-(di-phenyl-phosphine sulfide)-κ2 S,S']platinum(II), [PtCl2(C26H22P2S2)] (II), are described here. Compound I features P=S bond lengths of 1.9571 (15) and 1.9529 (15) Å, with a torsion angle of 166.24 (7)° between the two phosphine sulfide groups. The crystal of compound I features both intra-molecular C-H⋯S hydrogen bonds and π-π inter-actions. Mol-ecules of compound I are held together with inter-molecular π-π and C-H⋯π inter-actions to form chains that run parallel to the z-axis. The inter-molecular C-H⋯π inter-action has a H⋯Cg distance of 2.63 Å, a D⋯Cg distance of 3.573 (5) Šand a D-H⋯Cg angle of 171° (where Cg refers to the centroid of one of the phenyl rings). These chains are linked by relatively long C-H⋯S hydrogen bonds with D⋯A distances of 3.367 (4) and 3.394 (4) Šwith D-H⋯A angles of 113 and 115°. Compound II features Pt-Cl and Pt-S bond lengths of 2.3226 (19) and 2.2712 (19) Å, with a P=S bond length of 2.012 (3) Å. The PtII center adopts a square-planar geometry, with Cl-Pt-Cl and S-Pt-S bond angles of 90.34 (10) and 97.19 (10)°, respectively. Mol-ecules of compound II are linked in the crystal by inter-molecular C-H⋯Cl and C-H⋯S hydrogen bonds.

Synthesis and crystal structure of racemic (R*,R*)-2,2'-(1,4-phenyl-ene)bis-(3-phenyl-2,3,5,6-tetra-hydro-4H-1,3-thia-zin-4-one).

In the racemic title compound, C26H24N2O2S2, one of the thia-zine rings shows a twisted boat conformation (Q = 0.743 Å, θ = 92.1°) and the other a half-chair puckering (Q = 0.669 Å, θ = 54.3°). The terminal phenyl rings are almost parallel to each other [dihedral angle 21.71 (10)°]. Both of these rings are orthogonal to the central phenyl ring, subtending a dihedral angle of about 78° in each case. The extended structure is consolidated by C-H⋯O and C-H⋯S hydrogen bonds as well as aromatic ring inter-actions of parallel-displaced and T-type. The mol-ecule has approximate C2 local symmetry but this is not carried over to its three-dimensional structure or the inter-molecular inter-actions.

Crystal structure of bis-[µ-N-(η2-prop-2-en-1-yl)piperidine-1-carbo-thio-amide-κ2 S:S]bis-[(thio-cyanato-κN)copper(I)].

The title crystalline compound, [Cu2(NCS)2(C9H16N2)2], was obtained from the reaction of copper(I) thio-cyanate (CuSCN) with (N-prop-2-en-1-yl)piperidine-1-carbo-thio-amide as a chelating and bridging thio-urea ligand in chloro-benzene. The Cu2S2 core of the dimeric mol-ecule is situated on a crystallographic inversion centre. The copper atom is coordinated by a thio-cyanate nitro-gen atom, each sulfur atom of the two thio-urea ligands, and the C=C double bond of the ligand in a distorted tetra-hedral geometry. The dimers are linked by N-H⋯S hydrogen bonds, forming a network extending in two dimensions parallel to (100).

De Novo KMT2D Heterozygous Frameshift Deletion in a Newborn with a Congenital Heart Anomaly.

Kabuki syndrome (KS) is characterized by typical facial features and patients are also affected by multiple congenital anomalies, of which congenital heart anomalies (CHAs) are present in 28.0 to 80.0%. In approximately 75.0% of patients, the genetic causes of KS are caused by mutation in the KMT2D gene. Although KS is a well-characterized syndrome, reaching the diagnosis in neonates is still challenging. Namely, newborns usually display mild facial features; therefore the diagnosis is mainly based on congenital malformations. In our case, a newborn was referred for next generation sequencing (NGS) testing due to the prenatally observed CHA. After birth, a ventricular septal defect (VSD), vesicoureteral reflux, muscular hypotonia, cleft palate, mild microcephaly, and some dysmorphic features, were noted. The NGS analysis was performed on the proband's genomic DNA using the TruSight One Sequencing Panel, which enriches exons of 4813 genes with clinical relevance to the disease. After variant calling, NGS data analysis was predominantly focused on rare variants in genes involved in VSD, microcephaly, and muscular hypotonia; features observed predominantly in our proband. With the aforementioned protocol, we were able to determine the previously unreported de novo frameshift deletion in the KMT2D gene resulting in translation termination. Although our proband is a typical representative of KS, his diagnosis was reached only after NGS analysis. Our proband thus represents the importance of genotypephenotype driven NGS analysis in diagnosis of patients with congenital anomalies.

Prevalence and factors associated with tea consumption in the first month of life in a birth cohort in the Northeast Region of Brazil / Prevalência e fatores associados ao uso de chá no primeiro mês de vida em uma coorte de nascimento na Região Nordeste do Brasil

Abstract Objectives: to determine the prevalence and analyze the factors associated with newborns drinking tea in a birth cohort. Methods: A cross-sectional study with nested prospective cohort was conduct with 329 puerperal women and their newborns in Vitória da Conquista, Bahia. Sociodemographic and information about the newborn's diet and mothers/babies was obtained at a maternity and 30 days after birth, at home visits. The prevalence ratios (PR) and its respective confidence intervals (CI95%) were estimated with Poisson regression models according to the hierarchical conceptual model. Results: the prevalence of tea consumption up to 30 days of life was 34.6% (CI95%=29.7; 40.0%). The sociodemographic and maternal characteristics associated with the outcome were not having a partner (PR = 1.39; CI95%=1.03-1.88), more than eight years of schooling (PR=1.38; CI95%=1.03-1.84), lower income (PR=2.21; CI95%=1.31-3.73), primiparous (PR=1.48; CI95%=1.01-2.17) and does not have any experience with breastfeeding before (PR=2.25; CI95%=1.48-3.41). As for the child, there was a higher prevalence of tea consumption than among those who received artificial milk in the first month of life (PR= 2.10; CI95%=1.62-2.73). Conclusions: the offer of tea in the first month of life was high. Tea consumption was positively associated with sociodemographic, maternal and newborn feeding factors.

Resumo Objetivos: determinar a prevalência e analisar fatores associados ao uso de chá em recém-nascidos em uma coorte de nascimento. Métodos: estudo transversal aninhado a uma coorte prospectiva conduzida em 329 puérperas e recém-nascidos em Vitória da Conquista, Bahia. Informações sociodemográficas, relativas à alimentação do recém-nascido e relacionadas aos pares mães-bebês foram obtidas na maternidade e aos 30 dias de nascimento, durante visita domiciliar. As razões de prevalência (RP) e seus respectivos intervalos de confiança (IC95%) foram estimados em modelos de regressão de Poisson conforme modelo conceitual hierárquico. Resultados: a prevalência do uso de chá até os 30 dias de vida foi de 34,6% (IC95%=29,7; 40,0%). As características sociodemográficas e maternas associadas ao desfecho foram não possuir companheiro (RP = 1,39; IC95%= 1,03-1,88), ter até oito anos de estudo (RP=1,38; IC95%= 1,03-1,84), menor renda (RP = 2,21; IC95%= 1,31-3,73), ser primípara (RP=1,48; IC95%= 1,01-2,17) e não possuir experiência anterior com amamentação (RP=2,25; IC95%= 1,48-3,41). Quanto à criança, houve maior prevalência de uso de chá entre as que receberam leite artificial no primeiro mês de vida (RP = 2,10; IC95%=1,62-2,73). Conclusões: a oferta do chá no primeiro mês de vida foi elevada. O uso do chá associou-se positivamente a fatores sociodemográficos, maternos e da alimentação do recém-nascido.

Geographical Accessibility of Community Health Assist System General Practitioners for the Elderly Population in Singapore: A Case Study on the Elderly Living in Housing Development Board Flats.

Accessible primary healthcare is important to national healthcare in general and for older persons in particular, in societies where the population is ageing rapidly, as in Singapore. However, although much policy and research efforts have been put into this area, we hardly find any spatial perspective to assess the accessibility of these primary healthcare services. This paper analyzes the geographical accessibility of one major healthcare service in Singapore, namely, General Practitioners (GPs) services under the Community Health Assist Scheme (CHAS) for older persons. A Python script was developed to filter the website data of the Housing Development Board (HDB) of Singapore. The data derived was comprehensively analyzed by an Enhanced 2-Step Floating Catchment Area (E2SFCA) method based on a Gaussian distance-decay function and the GIS technique. This enabled the identification of areas with relatively weak geographical accessibility of CHAS-GPs. The findings are discussed along with suggestions for health practitioners, service planners and policy makers. Despite its initial nature, this study has demonstrated the value of innovative approaches in data collection and processing for the elderly-related studies, and contributed to the field of healthcare services optimization and possibly to other human services.

Silver(I) nitrate complexes of three tetra-kis-thio-ether-substituted pyrazine ligands: metal-organic chain, network and framework structures.

The reaction of the ligand 2,3,5,6-tetra-kis-[(methyl-sulfanyl)-meth-yl]pyrazine (L1) with silver(I) nitrate led to {[Ag(C12H20N2S4)](NO3)} n , (I), catena-poly[[silver(I)-µ-2,3,5,6-tetra-kis-[(methyl-sulfan-yl)meth-yl]pyrazine] nitrate], a compound with a metal-organic chain structure. The asymmetric unit is composed of two half ligands, located about inversion centres, with one ligand coordinating to the silver atoms in a bis-tridentate manner and the other in a bis-bidentate manner. The charge on the metal atom is compensated for by a free nitrate anion. Hence, the silver atom has a fivefold S3N2 coordination sphere. The reaction of the ligand 2,3,5,6-tetra-kis-[(phenyl-sulfanyl)-meth-yl]pyrazine (L2) with silver(I) nitrate, led to [Ag2(NO3)2(C32H28N2S4)] n , (II), poly[di-µ-nitrato-bis-{µ-2,3,5,6-tetra-kis-[(phenyl-sulfan-yl)meth-yl]pyrazine}disilver], a compound with a metal-organic network structure. The asymmetric unit is composed of half a ligand, located about an inversion centre, that coordinates to the silver atoms in a bis-tridentate manner. The nitrate anion coordinates to the silver atom in a bidentate/monodentate manner, bridging the silver atoms, which therefore have a sixfold S2NO3 coordination sphere. The reaction of the ligand 2,3,5,6-tetra-kis-[(pyridin-2-yl-sulfanyl)-meth-yl]pyrazine (L3) with silver(I) nitrate led to [Ag3(NO3)3(C28H24N6S4)] n , (III), poly[trinitrato{µ6-2,3,5,6-tetra-kis[(pyri-din-2-ylsulfan-yl)meth-yl]pyrazine}-trisilver(I)], a compound with a metal-organic framework structure. The asymmetric unit is composed of half a ligand, located about an inversion centre, that coordinates to the silver atoms in a bis-tridentate manner. One pyridine N atom bridges the monomeric units, so forming a chain structure. Two nitrate O atoms also coordinate to this silver atom, hence it has a sixfold S2N2O2 coordination sphere. The chains are linked via a second silver atom, located on a twofold rotation axis, coordinated by the second pyridine N atom. A second nitrate anion, also lying about the twofold rotation axis, coordinates to this silver atom via an Ag-O bond, hence this second silver atom has a threefold N2O coordination sphere. In the crystal of (I), the nitrate anion plays an essential role in forming C-H⋯O hydrogen bonds that link the metal-organic chains to form a three-dimensional supra-molecular structure. In the crystal of (II), the metal-organic networks (lying parallel to the bc plane) stack up the a-axis direction but there are no significant inter-molecular inter-actions present between the layers. In the crystal of (III), there are a number of C-H⋯O hydrogen bonds present within the metal-organic framework. The role of the nitrate anion in the formation of the coordination polymers is also examined.

Utilização de medicamentos e plantas medicinais por gestantes atendidas na unidade de saúde da mulher em Alegre, ES, Brasil / Use of drugs and medicinal plants by pregnant women attended at the women's health unit in Alegre, ES, Brazil

A automedicação é um problema universal, portanto, gestantes também estão sujeitas a utilizarem medicamentos constantemente. Assim, o objetivo desse trabalho foi identificar a utilização de medicamentos e plantas medicinais junto às gestantes atendidas na Unidade Saúde da Mulher, no município de Alegre, ES. O estudo foi realizado por meio de entrevistas. Foram entrevistadas 115 gestantes, e a idade variou de 14 a 43 anos. Dessas, 99,1% eram alfabetizadas, e 48,69% não realizavam atividade remunerada. A maioria das gestantes tinha renda familiar baixa. Em relação ao tratamento de água e coleta de lixo, 24% relataram utilizar água de poços e 18% não contavam com a coleta de lixo semanal. A maior parte das gestantes estava no terceiro trimestre da gravidez. Das entrevistadas, 80% afirmaram utilizar pelo menos um medicamento na gestação, sendo que somente 64% das gestantes afirmaram saber a finalidade do medicamento prescrito e 21% utilizaram por automedicação. Foi constatado que 9,5% apresentavam algum tipo de doença crônica. Os medicamentos mais utilizados foram antianêmicos e analgésicos não opióides. De acordo com a classificação de risco do FDA, 13,2% das gestantes utilizavam medicamentos que podem causar efeitos adversos. No que se refere ao consumo de chás, 17% afirmaram utilizar no mínimo um tipo durante o período gestacional, e o mais utilizado foi o de capim-cidreira. Foi possível notar que a automedicação faz parte do cotidiano das gestantes no município de Alegre, evidenciando a necessidade da orientação farmacêutica.

Antioxidant and antifungal activities of Camellia sinensis (L) Kuntze leaves obtained by different forms of production / Atividade antioxidante e antifúngica das folhas de Camellia sinensis (L) Kuntze, obtidas por diferentes formas de produção

Abstract The antioxidant and anticandidal activities of leaves obtained from Camellia sinensis by non-fermentation (green and white teas), semi-fermentation (red tea) and fermentation method (black tea) were investigated. It was evaluated the total phenolic content by Folin-Ciocalteau assay; antioxidant capacities were evaluated in vitro using DPPH and ABTS radicals, hypochlorous acid and superoxide anion scavenger assays, induced hemolysis, lipid peroxidation by conjugated diene formation and myeloperoxidase activity. Anticandidal activity was performed on three strains of Candida spp. The results showed that non-fermented teas have a higher concentration of phenolic compounds, and then presented the best inhibitory activity of AAPH-induced hemolysis, the best inhibition of conjugated diene formation and more pronounced antioxidant activity in all tests. The highest anticandidal activity was obtained from fermented tea, followed by non-fermented tea. These results indicate that the antioxidant activity demonstrated has no direct relation with the anticandidal activity.

Resumo A atividade antioxidante e antifúngica das folhas obtidas da Camellia sinensis pelos métodos de não-fermentação (chás verde e branco), semi-fermentação (chá vermelho) e fermentação (chá preto) foram investigadas. Foi avaliado o conteúdo total de compostos fenólicos pelo método de Folin-Ciocalteau; a capacidade antioxidante foi avaliada in vitro usando os radicais artificiais DPPH e ABTS, o ácido hipocloroso, ensaios do ânion superóxido, hemólise induzida, peroxidação lipídica por formação de dienos conjugados e atividade da Mieloperoxidase. A atividade antifúngica foi obtida sobre três cepas de Candida spp. Os resultados obtidos mostram que os chás não fermentados apresentam a maior concentração de compostos fenólicos e também, apresentam a melhor atividade inibitória, sobre hemólise induzida por APPH, sobre a formação de dienos conjugados e a mais pronunciada atividade antioxidante sobre todos os testes. A maior atividade antifúngica foi obtida pelo chá fermentado, seguido pelo semi-fermentado e não-fermentados. Os resultados obtidos demonstram que a atividade antioxidante observada não apresenta relação com a atividade antifúngica.

Effect of deploying community health assistants on appropriate treatment for diarrhoea, malaria and pneumonia: quasi-experimental study in two districts of Zambia.

OBJECTIVE: A critical shortage of human resources for health in Zambia remains a great challenge. In response, the Zambian Ministry of Health developed a national community health assistant (CHA) programme, aiming to create a well-trained and motivated community-based health workforce. This study assessed whether CHAs increased treatment rates for diarrhoea, confirmed malaria or pneumonia in the first programme year. METHODS: This study used a quasi-experimental difference-in-difference design, comparing changes in the catchment areas of health posts with CHAs to those without. Baseline and end line household surveys were conducted to measure the proportion of children under 5 years treated for diarrhoea, malaria or pneumonia in the 2 weeks before the survey and immunisation rates and malaria rapid diagnostic test rates. RESULTS: We surveyed 2330 women with children under five from the intervention area and 2314 from comparison areas at baseline and end line. Treatment for diarrhoea, malaria or pneumonia increased by 18.0% (P < 0.01) and 23.5% (P < 0.01) in the intervention and comparison groups, respectively, but DID analysis was not significant (P = 0.27). The proportion of fully immunised children grew by 7.5% in the intervention, but shrank by 7.5% in the comparison group (DID: 0.14; 95% CI 0.12-0.16, P < 0.01). CONCLUSION: Although we observed no significant difference between the intervention and comparison groups in the DID estimates for the primary outcome, there were significant increases after one year in treatment for all three diseases in the intervention group from baseline to end line and in the proportion of fully immunised children.

Copy number variants associated with 18p11.32, DCC and the promoter 1B region of APC in colorectal polyposis patients.

Familial Adenomatous Polyposis (FAP) is the second most common inherited predisposition to colorectal cancer (CRC) associated with the development of hundreds to thousands of adenomas in the colon and rectum. Mutations in APC are found in ~ 80% polyposis patients with FAP. In the remaining 20% no genetic diagnosis can be provided suggesting other genes or mechanisms that render APC inactive may be responsible. Copy number variants (CNVs) remain to be investigated in FAP and may account for disease in a proportion of polyposis patients. A cohort of 56 polyposis patients and 40 controls were screened for CNVs using the 2.7M microarray (Affymetrix) with data analysed using ChAS (Affymetrix). A total of 142 CNVs were identified unique to the polyposis cohort suggesting their involvement in CRC risk. We specifically identified CNVs in four unrelated polyposis patients among CRC susceptibility genes APC, DCC, MLH1 and CTNNB1 which are likely to have contributed to disease development in these patients. A recurrent deletion was observed at position 18p11.32 in 9% of the patients screened that was of particular interest. Further investigation is necessary to fully understand the role of these variants in CRC risk given the high prevalence among the patients screened.

Perfil físico-químico e atividade antioxidante do cálice da espécie Hibiscus sabdariffa L. a partir do extrato aquoso e alcoólico obtidos por infusão e decocto / Physical-chemical profile and antioxidant activity of the calyx of the species Hibiscus sabdariffa L. from the aqueous and alcoholic extract obtained by infusion and decoction

O chá vem sendo uma das bebidas mais consumidas por grande parte da população mundial, sendo alvo de diversas pesquisas por suas propriedades terapêuticas. Comercializada pelo nome popular de Hibisco, a droga vegetal Hibiscus sabdariffa L. é uma espécie que tem sido atrativo de diversos pesquisadores em varias áreas. Atualmente, é utilizada como alimento humano, aromatizante, para artesanato e ornamentação. Além disso, por ter em sua composição substâncias com ação antioxidante, sua utilização na área da saúde vem sendo explorada. O objetivo deste trabalho foi determinar o perfil físico-químico do chá de H. sabdariffa L., os teores de polifenóis e flavonoides, e a atividade antioxidante da espécie H. sabdariffa L. a partir do extrato aquoso e alcoólico obtidos por infusão ou decocção. Os resultados demonstram que os parâmetros físicos de qualidade encontram-se dentro dos estabelecidos pela Farmacopeia Brasileira. Diante das amostras analisadas foi possível verificar que todos os extratos apresentaram teor de flavonoides e polifenóis. Entretanto, houve diferenças entre os solventes utilizados, o que já era esperado pela diferença de polaridade entre ambos. Conclui-se que o melhor método de extração, por obter a melhor atividade antioxidante e maiores concentrações de polifenóis e flavonoides, é o extrato obtido por decocção.(AU)

Tea has been one of the most consumed beverages for much of the world's population, the target of several studies for its therapeutic properties. Marketed by the popular name of hibiscus plant drug Hibiscus sabdariffa L. is a species that has been attractive to many researchers in various areas. Currently, it is used as food, flavoring, Craft and ornamentation. In addition, having in its composition substances with antioxidant activity, their use in health has been explored. The objective of this study was to determine the physical and chemical profile of H. sabdariffa L. tea, the levels of polyphenols and flavonoids, and antioxidant activity of the species H. sabdariffa L. from the aqueous and alcoholic extract obtained by infusion or decoction. The results demonstrate that the physical quality parameters are within established by the Brazilian Pharmacopoeia. In the face of the samples was verified that all extracts showed flavonoid and polyphenol content. However, there were differences between the solvents used, which was expected by the difference in polarity between them. It is concluded that the best method of extraction to obtain the best antioxidant activity and higher concentrations of polyphenols and flavonoids is the extract from the decoction.(AU)

Crystal structure of 3-(thio-phen-2-yl)-5-p-tolyl-4,5-di-hydro-1H-pyrazole-1-carbo-thio-amide.

In the title compound, C15H15N3S2, the central pyrazole ring adopts a twisted conformation on the -CH-CH2- bond. Its mean plane makes dihedral angles of 7.19 (12) and 71.13 (11)° with those of the thio-phene and toluene rings, respectively. The carbothi-amide group [C(=S)-N] is inclined to the pyrazole ring mean plane by 16.8 (2)°. In the crystal, mol-ecules are linked by N-H⋯S hydrogen bonds, forming chains propagating along [010]. Within the chains, there are N-H⋯π inter-actions present. Between the chains there are weak parallel slipped π-π inter-actions involving inversion-related thio-phene and pyrazole rings [inter-centroid distance = 3.7516 (14) Å; inter-planar distance = 3.5987 (10) Å; slippage = 1.06 Å].

Crystal structure of 3,3'-diisopropyl-1,1'-(pyridine-2,6-di-yl)bis-[1H-imidazole-2(3H)-thione].

In the title compound, C17H21N5S2, the dihedral angles between the central pyridine ring and its pendant imidazole rings are 29.40 (9) and 40.77 (9)°; the pendant rings are twisted in an opposite sense with respect to the central ring. In each case, the S atom is approximately anti to the N atom of the pyridine ring. For both substituents, the H atom attached to the central C atom of the isopropyl group is approximately syn to the S atom in the attached ring. In the crystal, mol-ecules are linked by weak C-H⋯S inter-actions, generating C(5) chains propagating along [001].

Crystal structure of (7-chloro-2-oxo-2H-chromen-4-yl)methyl N,N-di-methyl-carbamodi-thio-ate.

In the title compound, C13H12Cl N O2S2, the 2H-chromene ring system is almost planar, with a maximum deviation of 0.005 (2) Å. The packing features C-H⋯S hydrogen bonds and π-π inter-actions between fused benzene rings of chromene [shortest centroid-centroid distances = 3.6553 (13) and 3.5551 (13) Å].

The crystal structure of 1,5-dibenzyl-1H-pyrazolo-[3,4-d]pyrimidine-4(5H)-thione.

In the title compound, C19H16N4S, the pyrazolo-[3,4-d]pyrimidine ring is close to being planar, with the greatest deviation from the mean plane being 0.023 (2) Šfor the C atom bearing the thione S atom. The two phenyl rings are nearly perpendicular to the fused ring system [dihedral angles = 71.4 (2) and 78.1 (2)°], but are oriented in opposite directions; the dihedral angle between the phenyl rings is 32.22 (16)°. In the crystal, linear supra-molecular chains along [101] are sustained by C-H⋯S inter-actions.

Crystal structure of 4-[(E)-(4-fluoro-benzyl-idene)amino]-3-methyl-1H-1,2,4-triazole-5(4H)-thione.

The title compound, C10H9FN4S, crystallizes with two mol-ecules (A and B) in the asymmetric unit. The dihedral angle between the planes of the trizole and fluoro-benzene rings is 7.3 (3)° in mol-ecule A and 41.1 (3)° in mol-ecule B. Mol-ecule A features an intra-molecular C-H⋯S hydrogen bond, which closes an S(6) ring. In the crystal, A+B dimers linked by pairs of N-H⋯S hydrogen bonds occur, generating R 2 (2)(8) loops. Weak π-π stacking contacts [centroid-centroid separation = 3.739 (6) Å] are also observed.

Crystal structure of 4-((1E)-1-{(2Z)-2-[4-(4-bromo-phen-yl)-3-phenyl-2,3-di-hydro-1,3-thia-zol-2-yl-idene]hydrazin-1-yl-idene}eth-yl)phenol hemihydrate.

In the title compound, C23H18BrN3OS·0.5H2O, the bromo-phenyl, phenyl and phenol rings make dihedral angles of 46.5 (1), 66.78 (8) and 15.4 (2)°, respectively, with the mean squares plane of the thia-zol-idene ring. In the crystal, the lattice water mol-ecule is hydrogen bonded to the phenol group and makes a weaker O-H⋯N connection to an inversion-related mol-ecule, forming a ring while weak pairwise C-H⋯S inter-actions involving inversion-related mol-ecules form a second ring. Both these motifs result in the formation of two-dimensional networks lying parallel to (10-1).