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1.
Acta Crystallogr C ; 69(Pt 4): 337-9, 2013 Apr.
Artigo em Inglês | MEDLINE | ID: mdl-23579700

RESUMO

A new substance, cis-amminedibromido(2-methylpyridine-κN)platinum(II), cis-[PtBr2(C6H7N)(NH3)], which is a potential platinum-based antineoplastic agent for the treatment of patients with solid tumors, has been synthesized and structurally characterized. There is one molecule in the asymmetric unit and molecules are linked via two symmetry-independent N-H···Br hydrogen bonds into zigzag chains running parallel to the c axis. C-H···Br hydrogen bonds crosslink these chains to give a layer parallel to (010). N-H···Br hydrogen bonds and π-π stacking interactions between pairs of pyridine rings stack the layers along b.


Assuntos
Antineoplásicos/química , Antineoplásicos/síntese química , Compostos Organoplatínicos/química , Compostos Organoplatínicos/síntese química , Cristalografia por Raios X , Ligação de Hidrogênio , Estrutura Molecular
2.
Chemistry ; 19(3): 1066-75, 2013 Jan 14.
Artigo em Inglês | MEDLINE | ID: mdl-23197435

RESUMO

A series of 10-arylflavins (10-phenyl-, 10-(2',6'-dimethylphenyl)-, 10-(2',6'-diethylphenyl)-, 10-(2',6'-diisopropylphenyl)-, 10-(2'-tert-butylphenyl)-, and 10-(2',6'-dimethylphenyl)-3-methylisoalloxazine (2 a-f)) was prepared as potentially nonaggregating flavin photocatalysts. The investigation of their structures in the crystalline phase combined with (1)H-DOSY NMR spectroscopic experiments in CD(3)CN, CD(3)CN/D(2)O (1:1), and D(2)O confirm the decreased ability of 10-arylflavins 2 to form aggregates relative to tetra-O-acetyl riboflavin (1). 10-Arylflavins 2 a-d do not interact by π-π interactions, which are restricted by the 10-phenyl ring oriented perpendicularly to the isoalloxazine skeleton. On the other hand, N3-H⋅⋅⋅O hydrogen bonds were detected in their crystal structures. In the structure of 10-aryl-3-methylflavin (2 f) with a substituted N3 position, weak C-H⋅⋅⋅O bonds and weak π-π interactions were found. 10-Arylflavins 2 were tested as photoredox catalysts for the aerial oxidation of 4-methoxybenzyl alcohol to the corresponding aldehyde (model reaction), thus showing higher efficiency relative to 1. The quantum yields of 4-methoxybenzyl alcohol oxidation reactions mediated by arylflavins 2 were higher by almost one order of magnitude relative to values in the presence of 1.


Assuntos
Flavinas/química , Flavinas/síntese química , Luz , Catálise , Cristalografia por Raios X , Modelos Moleculares , Estrutura Molecular , Processos Fotoquímicos
3.
Acta Crystallogr C ; 68(Pt 12): m340-3, 2012 Dec.
Artigo em Inglês | MEDLINE | ID: mdl-23221243

RESUMO

Another new substance from the family of Pt-based coordination complexes with potential use in cancer chemotherapy has been synthesized, crystallized and structurally characterized. In this compound {systematic name cis-dibromido[(1R,2R)-cyclohexane-1,2-diamine-κ(2)N,N']platinum(II)}, cis-[PtBr(2)(C(6)H(14)N(2))], there are two molecules with very similar conformations in the asymmetric unit. The component species interact by way of N-H...Br and C-H...Br hydrogen bonds to give two-dimensional networks which lie parallel to the (100) plane.


Assuntos
Antineoplásicos/química , Antineoplásicos/síntese química , Cicloexanos/química , Citostáticos/química , Citostáticos/síntese química , Diaminas/química , Neoplasias/química , Compostos Organoplatínicos/química , Compostos Organoplatínicos/síntese química , Animais , Antineoplásicos/farmacologia , Cristalografia por Raios X , Citostáticos/farmacologia , Camundongos , Conformação Molecular , Neoplasias/tratamento farmacológico , Compostos Organoplatínicos/farmacologia
4.
Acta Crystallogr C ; 67(Pt 10): o391-3, 2011 Oct.
Artigo em Inglês | MEDLINE | ID: mdl-21979974

RESUMO

The title compound {systematic name: trimethyl[2-({4-oxo-4-[2-(trimethylazaniumyl)ethoxy]butanoyl}oxy)ethyl]azanium diiodide}, C(14)H(30)N(2)O(4)(2+)·2I(-), is a salt of the succinylcholinium cation. There is one formula unit in the asymmetric unit, represented by two anions and two halves of two cations which lie on centres of inversion. The component species are stabilized by electrostatic interactions, and C-H···I and C-H···O hydrogen bonds are also present.


Assuntos
Íons/química , Succinilcolina/química , Cristalização , Cristalografia por Raios X , Ligação de Hidrogênio , Estrutura Molecular
5.
Acta Crystallogr C ; 66(Pt 10): m273-5, 2010 Oct.
Artigo em Inglês | MEDLINE | ID: mdl-20921601

RESUMO

The title compound, cis-diacetonitrile[(1R,2R)-1,2-diaminocyclohexane-κ(2)N,N']platinum(II) dinitrate monohydrate, [Pt(C(2)H(3)N)(2)(C(6)H(14)N(2))](NO(3))(2)·H(2)O, is a molecular salt of the diaminocyclohexane-Pt complex cation. There are two formula units in the asymmetric unit. Apart from the two charge-balancing nitrate anions, one neutral molecule of water is present. The components interact via N-H...O and O-H...O hydrogen bonds, resulting in supramolecular chains. The title compound crystallizes only from acetonitrile with residual water, with the acetonitrile coordinating to the molecule of cis-[Pt(NO(3))(2)(DACH)] (DACH is 1,2-diaminocyclohexane) and the water forming a monohydrate.


Assuntos
Acetonitrilas/química , Nitratos/química , Compostos Organoplatínicos/química , Cristalografia por Raios X , Ligantes , Estrutura Molecular
6.
Acta Crystallogr Sect E Struct Rep Online ; 66(Pt 4): o821, 2010 Mar 13.
Artigo em Inglês | MEDLINE | ID: mdl-21580652

RESUMO

THE TITLE COMPOUND [SYSTEMATIC NAME: (8S)-8-methyl-6,9-diaza-spiro-[4.5]decane-7,10-dione], C(9)H(14)N(2)O(2), consists of two connected rings, viz. a piperazine-2,5-dione (DKP) ring and a five-membered ring. The DKP ring adopts a slight boat conformation and the bonded methyl group is in an equatorial position. The five-membered ring is in an envelope conformation. In the crystal structure, inter-molecular N-H⋯O hydrogen bonds link mol-ecules into chains running parallel to the c axis.

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