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5-Dichloro-acetyl-4-methyl-2,3,4,5-tetra-hydro-1H-1,5-benzodiazepin-2-one hemihydrate.

ABSTRACT: There are two crystallographically independent organic mol-ecules in the asymmetric unit of the title compound, C(12)H(12)Cl(2)N(2)O(2)·0.5H(2)O. The benzodiazepine ring adopts a distorted boat conformation in both molecules. The crystal packing is controlled by N-H?O, C-H?O and O-H?O intra- and inter-molecular hydrogen bonds. A graph-set motif of R(3) (3)(14) dimer formation by a combination of N-H?O, O-H?O and C-H?O hydrogen bonds stabilizes the mol-ecules and extends along a axis.

SUBMITTER: Ravichandran K 

PROVIDER: S-EPMC2970202 | biostudies-literature | 2009 Sep

REPOSITORIES: biostudies-literature

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5-Dichloro-acetyl-4-methyl-2,3,4,5-tetra-hydro-1H-1,5-benzodiazepin-2-one hemihydrate.

Ravichandran K K   Sakthivel P P   Ponnuswamy S S   Shalini M M   Ponnuswamy M N MN  

Acta crystallographica. Section E, Structure reports online 20090926 Pt 10

There are two crystallographically independent organic mol-ecules in the asymmetric unit of the title compound, C(12)H(12)Cl(2)N(2)O(2)·0.5H(2)O. The benzodiazepine ring adopts a distorted boat conformation in both molecules. The crystal packing is controlled by N-H⋯O, C-H⋯O and O-H⋯O intra- and inter-molecular hydrogen bonds. A graph-set motif of R(3) (3)(14) dimer formation by a combination of N-H⋯O, O-H⋯O and C-H⋯O hydrogen bonds stabilizes the mol-ecules and extends along a axis. ...[more]

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