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3-[(1-Benzyl-1H-1,2,3-triazol-5-yl)methyl]-1,5-dimethyl-1,5-benzodiazepine-2,4-dione monohydrate.

ABSTRACT: In the title compound, C(21)H(21)N(5)O(2)·H(2)O, the seven-membered ring adopts a boat-shaped conformation with the methine C atom as the prow. In the crystal, the water mol-ecule links adjacent mol-ecules by O-H?O and O-H?N hydrogen bonds into a zigzag chain running along the c axis of the monoclinic cell.

SUBMITTER: Dardouri R

PROVIDER: S-EPMC2983709 | biostudies-literature | 2010 Feb

REPOSITORIES: biostudies-literature

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3-[(1-Benzyl-1H-1,2,3-triazol-5-yl)methyl]-1,5-dimethyl-1,5-benzodiazepine-2,4-dione monohydrate.

Dardouri R R Kandri Rodi Y Y Saffon Natalie N Essassi El Mokhtar el M Ng Seik Weng SW

Acta crystallographica. Section E, Structure reports online 20100213 Pt 3

In the title compound, C(21)H(21)N(5)O(2)·H(2)O, the seven-membered ring adopts a boat-shaped conformation with the methine C atom as the prow. In the crystal, the water mol-ecule links adjacent mol-ecules by O-H⋯O and O-H⋯N hydrogen bonds into a zigzag chain running along the c axis of the monoclinic cell. ...[more]

PMID: 21580389

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3-[(1-Benzyl-1H-1,2,3-triazol-4-yl)methyl]-1,5-dimethyl-1,5-benzodiazepine-2,4-dione.

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3-(6-Bromo-hex-yl)-1,5-dimethyl-1H-1,5-benzodiazepine-2,4(3H,5H)-dione.

Project description:The seven-membered ring in the title compound, C(17)H(23)BrN(2)O(2), adopts a boat-shaped conformation (with the C atoms of the fused-ring as the stern and the methine C atom as the prow). The bromo-hexyl substituent occupies an equatorial position, with the hexyl chain exhibiting an extended conformation. Weak inter-molecular C-H?O hydrogen bonding is present in the crystal structure.

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