RESUMO
This study presents the synthesis, characterization and Hirshfeld surface analysis of 1-[6-bromo-2-(3-bromo-phen-yl)-1,2,3,4-tetra-hydro-quinolin-4-yl]pyrrolidin-2-one, C19H18Br2N2O. In the title compound, the pyrrolidine ring adopts a distorted envelope configuration. In the crystal, mol-ecules are linked by inter-molecular N-Hâ¯O, C-Hâ¯O and C-Hâ¯Br hydrogen bonds, forming a three-dimensional network. In addition, pairs of mol-ecules along the c axis are connected by C-Hâ¯π inter-actions. According to a Hirshfeld surface study, Hâ¯H (36.9%), Brâ¯H/Hâ¯Br (28.2%) and Câ¯H/Hâ¯C (24.3%) inter-actions are the most significant contributors to the crystal packing.
RESUMO
In the title compound, C19H18BrFN2O, the pyrrolidine ring adopts an envelope conformation. In the crystal, mol-ecules are linked by inter-molecular N-Hâ¯O, C-Hâ¯O, C-Hâ¯F and C-Hâ¯Br hydrogen bonds, forming a three-dimensional network. In addition, C-Hâ¯π inter-actions connect mol-ecules into ribbons along the b-axis direction, consolidating the mol-ecular packing. The inter-molecular inter-actions in the crystal structure were qu-anti-fied and analysed using Hirshfeld surface analysis.
RESUMO
In the title compound, C15H13NO3S, the mol-ecular conformation is stable with the intra-molecular O-Hâ¯O hydrogen bond forming a S(7) ring motif. In the crystal, mol-ecules are connected by C-Hâ¯O hydrogen bonds, forming C(8) chains running along the a-axis direction. Cohesion of the packing is provided by weak van der Waals inter-actions between the chains. A Hirshfeld surface analysis was undertaken to investigate and qu-antify the inter-molecular inter-actions. The thio-phene ring is disordered in a 0.9466â (17):0.0534â (17) ratio over two positions rotated by 180°.
RESUMO
The title mol-ecule, C18H26O4, consists of two symmetrical halves related by the inversion centre at the mid-point of the central -C-C- bond. The hexene ring adopts an envelope conformation. In the crystal, the mol-ecules are connected into dimers by C-Hâ¯O hydrogen bonds with R 2 2(8) ring motifs, forming zigzag ribbons along the b-axis direction. According to a Hirshfeld surface analysis, Hâ¯H (68.2%) and Oâ¯H/Hâ¯O (25.9%) inter-actions are the most significant contributors to the crystal packing. The contribution of some disordered solvent to the scattering was removed using the SQUEEZE routine [Spek (2015 â¸). Acta Cryst. C71, 9-18] in PLATON. The solvent contribution was not included in the reported mol-ecular weight and density.
RESUMO
In the title compound, C24H21NO3S, the cyclopentene ring adopts an envelope conformation. In the crystal, mol-ecules are linked by C-Hâ¯π inter-actions, forming ribbons along the a axis. Inter-molecular C-Hâ¯O hydrogen bonds connect these ribbons to each other, forming layers parallel to the (01) plane. The mol-ecular packing is strengthened by van der Waals inter-actions between the layers. The inter-molecular contacts were qu-anti-fied using Hirshfeld surface analysis and two-dimensional fingerprint plots, revealing the relative contributions of the contacts to the crystal packing to be Hâ¯H 46.0%, Câ¯H/Hâ¯C 21.1%, Oâ¯H/Hâ¯O 20.6% and Sâ¯H/Hâ¯S 9.0%.
RESUMO
The asymmetric unit of the title compound, 2C31H28N2O4S·C2H6O, contains a parent mol-ecule and a half mol-ecule of ethanol solvent. The main compound stabilizes its mol-ecular conformation by forming a ring with an R 1 2(7) motif with the ethanol solvent mol-ecule. In the crystal, mol-ecules are connected by C-Hâ¯O and O-Hâ¯O hydrogen bonds, forming a three-dimensional network. In addition, C-Hâ¯π inter-actions also strengthen the mol-ecular packing.
RESUMO
In the title compound, C18H22O7, two hexane rings and an oxane ring are fused together. The two hexane rings tend toward a distorted boat conformation, while the tetra-hydro-furan and di-hydro-furan rings adopt envelope conformations. The oxane ring is puckered. The crystal structure features C-Hâ¯O hydrogen bonds, which link the mol-ecules into a three-dimensional network. According to a Hirshfeld surface study, Hâ¯H (60.3%) and Oâ¯H/Hâ¯O (35.3%) inter-actions are the most significant contributors to the crystal packing.
RESUMO
In the title compound, C20H18N2S, the asymmetric unit comprises two similar mol-ecules (A and B). In mol-ecule A, the central thio-phene ring makes dihedral angles of 89.96â (12) and 57.39â (13)° with the 1H-pyrrole rings, which are bent at 83.22â (14)° relative to each other, and makes an angle of 85.98â (11)° with the phenyl ring. In mol-ecule B, the corresponding dihedral angles are 89.49â (13), 54.64â (12)°, 83.62â (14)° and 85.67â (11)°, respectively. In the crystal, mol-ecular pairs are bonded to each other by N-Hâ¯N inter-actions. N-Hâ¯π and C-Hâ¯π inter-actions further connect the mol-ecules, forming a three-dimensional network. A Hirshfeld surface analysis indicates that Hâ¯H (57.1% for mol-ecule A; 57.3% for mol-ecule B), Câ¯H/Hâ¯C (30.7% for mol-ecules A and B) and Sâ¯H/Hâ¯S (6.2% for mol-ecule A; 6.4% for mol-ecule B) inter-actions are the most important contributors to the crystal packing.
RESUMO
In the title compound, C(8)H(10)N(2), the cyclo-hexane ring adopts a chair conformation. he crystal structure of the previously reported monoclinic modification have intramolecular CNâ¯CN and C-Hâ¯N interactions. These types of interaction are not present in this new modification whose crystal structure is built up by van der Waals interactions.
RESUMO
In the title compound, C(20)H(26)N(2)OS, four non-H atoms of the thio-urea unit are approximately planar (r.m.s. deviation = 0.005â Å); the phenyl and benzene rings are twisted out of this plane by 28.55â (7) and 60.00â (7)°, respectively. An intra-molecular N-Hâ¯O hydrogen bond occurs. The hy-droxy group is hydrogen bonded to the double-bond S atom of an inversion-related mol-ecule, generating a hydrogen-bonded dimer in the crystal structure.