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2-Hydr-oxy-10-propargylpyrrolo[2,1-c][1,4]benzodiazepine-5,11-dione monohydrate.

ABSTRACT: The title compound, C(15)H(14)N(2)O(3)·H(2)O, consists of a benzodiazepinedione system fused to a pyrrole system. The seven-membered ring adopts a boat-shaped conformation (with the methine C atom as the prow); the five-membered ring adopts an enveloped-shaped conformation (with the hydr-oxy-bearing C atom as the flap). In the crystal, adjacent mol-ecules are linked by O-H⋯O hydrogen bonds into sheets parallel to (102). In addition, C(acetyl-inic)-H⋯O hydrogen bonds occur.

SUBMITTER: Ourahou S

PROVIDER: S-EPMC2983934 | biostudies-literature |

REPOSITORIES: biostudies-literature

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2-Hydr-oxy-10-phenacyl-pyrrolo[2,1-c][1,4]benzodiazepine-5,11-dione.

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Project description:The title chiral compound, C(13)H(14)N(2)O(4), was prepared by an intra-cyclization reaction of methyl (S)-1-(4-hydr-oxy-5-meth-oxy-2-nitro-benz-yl)-5-oxopyrrolidine-2-carboxyl-ate in the presence of ethanol and iron. The five-membered substituted pyrrole ring adopts an approximate envelope conformation, while the seven-membered substituted diazepine ring displays a twist-boat conformation. Inter-molecular O-H?O and N-H?O hydrogen bonding helps to stabilize the crystal structure.

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