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2-Methyl-2,4-di-4-pyridyl-2,3-dihydro-1H-1,5-benzodiazepine acetic acid solvate.

ABSTRACT: In the title compound, C(20)H(18)N(4)·CH(3)COOH, the benzene ring forms dihedral angles of 81.34 (11) and 54.32 (11)° with the two pyridine rings. In the crystal, inter-molecular O-H⋯N hydrogen bonding links one 1,5-benzodiazepine mol-ecule and one acetic acid solvent mol-ecule into a dimer. These dimers, related by translation along the b axis, are further linked into chains via weak inter-molecular N-H⋯N hydrogen bonds.

SUBMITTER: Wang SC

PROVIDER: S-EPMC2971997 | biostudies-literature |

REPOSITORIES: biostudies-literature

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2,4-Bis(4-fluoro-phen-yl)-2,3-dihydro-1H-1,5-benzodiazepine.

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Crystal structure of 1,5-diethyl-1H-1,5-benzodiazepine-2,4(3H,5H)-di-thione.

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1,5-Dimethyl-3-propargyl-1H-1,5-benzodiazepine-2,4(3H,5H)-dione.

Project description:The asymmetric unit of the title compound, C(14)H(14)N(2)O(2), comprises two independent mol-ecules, which slightly differ in the orientation of the propargyl chain. In both molecules, the diazepine ring adopts a boat conformation with the propargyl-bearing C atom as the prow and the C atoms at the ring junction as the stern. The carbonyl O atom of one independent mol-ecule is hydrogen bonded to the acetyl-enic H atom of the other independent mol-ecule. In the crystal, symmetry-related mol-ecules are linked together by C-H⋯O hydrogen bonds, forming a ribbon-like structure along the c axis.

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3-{[3-(4-Chloro-phen-yl)-4,5-dihydro-1,2-oxazol-5-yl]meth-yl}-1,5-dimethyl-1H-1,5-benzodiazepine-2,4(3H,5H)-dione.

Project description:The seven-membered ring of the title mol-ecule, C(21)H(20)ClN(3)O(3), 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 substituent at the 3-position occupies an equatorial position; its five-membered ring is approximately planar (r.m.s. deviation = 0.081 Å), and is aligned at 14.5 (1)° with respect to the chloro-phenyl ring to which it is connected.

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Project description:The seven-membered ring in the title compound, C(23)H(35)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-dodecyl substituent occupies an equatorial position, with the dodecyl chain exhibiting an extended conformation. Weak inter-molecular C-H?O hydrogen bonding is present in the crystal structure.

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