(4Z)-1-Benzyl-4-(2-oxopropylidene)-2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-2-one

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1-Benzyl-3-[(dimethyl­amino)methyl­ene]-4-phenyl-1H-1,4-benzodiazepin-2(3H)-one

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The seven-membered fused-ring in the title compound, C(10)H(10)N(2)O·H(2)O, adopts a boat conformation (with the two phenyl-ene C atoms representing the stern and the methyl-ene C atom the prow). In the crystal, two benzodiazepinone mol-ecules are linked about a center of inversion by diazepine-carbonyl N-H⋯O hydrogen bonds. The dimers are further linked by water-diazepine O-H⋯N hydrogen bonds,...

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The fused five- and six-membered rings in the title compound, C(14)H(12)N(2)O, are essentially planar, the largest deviation from the mean plane being 0.023 (2) Å. The dihedral angle between the benzimidazole mean plane and the phenyl ring is 68.50 (6)°. In the crystal, each mol-ecule is linked to its symmetry equivalent created by a crystallographic inversion center by pairs of N-H⋯O hydrogen ...

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ژورنال

عنوان ژورنال: IUCrData

سال: 2016

ISSN: 2414-3146

DOI: 10.1107/s2414314616014486