5-Dichloroacetyl-4-methyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-2-one hemihydrate

Acta Crystallographica Section E Structure Reports Online (Impact Factor: 0.35). 10/2009; 65(Pt 10):o2551-2. DOI: 10.1107/S1600536809036940
Source: PubMed


There are two crystallographically independent organic mol­ecules in the asymmetric unit of the title compound, C12H12Cl2N2O2·0.5H2O. 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 inter­molecular hydrogen bonds. A graph-set motif of R
3(14) dimer formation by a combination of N—H⋯O, O—H⋯O and C—H⋯O hydrogen bonds stabilizes the mol­ecules and extends along a axis.

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Available from: Mondikalipudur NanjappaGounder Ponnuswamy, Aug 22, 2014