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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

ABSTRACT There are two crystallographically independent organic molecules in the asymmetric unit of the title compound, C12H12Cl2N2O2 center dot 0.5H(2)O. The benzodiazepine ring adopts a distorted boat conformation in both molecules. The crystal packing is controlled by N-H center dot center dot center dot O, C-H center dot center dot center dot O and O-H center dot center dot center dot O intra-and intermolecular hydrogen bonds. A graph-set motif of R-3(3)(14) dimer formation by a combination of N-H center dot center dot center dot O, O-H center dot center dot center dot O and C-H center dot center dot center dot O hydrogen bonds stabilizes the molecules and extends along a axis.

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Available from: Mondikalipudur NanjappaGounder Ponnuswamy, Aug 22, 2014
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