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4-Phenyl-1H-1,5-benzodiazepin-2(3H)-one.

ABSTRACT: In the title compound, C15H12N2O, the phenyl ring makes a dihedral angle of 32.45 (9)° with the benzene ring of the 1,5-benzodiazepin-2-one unit. The seven-membered ring adopts a boat conformation with the methyl-ene group as the prow and the fused benzene-ring C atoms as the stern. In the crystal, inversion dimers linked by pairs of N-H⋯O hydrogen bonds generate R2(2)(8) loops. The dimers are further linked by C-H⋯O hydrogen bonds, so forming a column along the a-axis direction.

SUBMITTER: Akkurt M

PROVIDER: S-EPMC3588955 | biostudies-literature |

REPOSITORIES: biostudies-literature

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4-Phenyl-1-(prop-2-yn-1-yl)-1H-1,5-benzodiazepin-2(3H)-one.

Project description:4-Phenyl-1H-1,5-benzodiazepin-2(3H)-one reacts in the pres-ence of a concentrated aqueous solution of sodium hydroxide and a quaternary ammonium salt (as catalyst) in benzene (phase transfer catalysis) with propargyl bromide, affording the title benzodiazepine derivative, C(18)H(14)N(2)O. In the mol-ecule, the mean plane of the propargyl substituent is almost perpendicular with that of the amide group [dihedral angle = 87.81?(8)°]. In the crystal, the molecules are linked by C-H?O and C-H?N inter-actions.

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5-Acetyl-3-hy-droxy-4-phenyl-4,5-dihydro-1H-1,5-benzodiazepin-2(3H)-one.

Project description:In the title compound, C(17)H(16)N(2)O(3), the seven-membered diazepine ring adopts a boat conformation with the hy-droxy-substituted C atom at the prow and fused benzene ring C atoms at the stern. The phenyl substituent occupies an equatorial position. The amino group of the ring system is a hydrogen-bond donor to the oxo O atom of an inversion-related mol-ecule, and the hy-droxy group is a hydrogen-bond donor to the acetyl O atom of another inversion-related mol-ecule. The two hydrogen bonds generate a ribbon motif parallel to [10[Formula: see text]] in the crystal structure.

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1-Allyl-4-phenyl-2,3-dihydro-1H-1,5-benzodiazepin-2-one.

Project description:The seven-membered ring in the title compound, C(18)H(16)N(2)O, adopts a boat conformation with the two phenyl-ene carbons representing the stern and the methyl-ene C atom the prow. The dihedral angle between the best plane through the seven-membered ring and the phenyl ring is 62.13?(3)°.

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2-(4-Phenyl-3H-1,5-benzodiazepin-2-yl)phenol.

Project description:In the title compound, C(21)H(16)N(2)O, the dihedral angle between the pendant aromatic rings is 74.2-(1)°.. The conformation is stabilized by an intramolecular O-H⋯N hydrogen bond.

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(E)-3-[(Di-methyl-amino)-methyl-idene]-4-phenyl-1-(prop-2-yn-yl)-1H-1,5-benzodiazepin-2(3H)-one.

Project description:The title compound, C21H19N3O, exhibits an E configuration with respect to the C=C bond between the benzodiazepine and tri-methyl-amine groups. The seven-membered diazepine ring displays a boat conformation. In the crystal, mol-ecules are linked by a C-H?O hydrogen bond, forming a chain along [110].

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1-Acetyl-4-phenyl-5a,6,7,8,9,9a-hexa-hydro-5H-1,5-benzodiazepin-2(1H)-one.

Project description:The seven-membered ring of the title compound, C(17)H(20)N(2)O(2), adopts an approximate boat conformation while the cyclo-hexyl ring adopts a chair conformation. In the crystal, adjacent mol-ecules are linked by N-H?O hydrogen bonds into a zigzag chain running along the c axis of the monoclinic unit cell.

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1-Benzyl-3-[(dimethyl-amino)methyl-ene]-4-phenyl-1H-1,4-benzodiazepin-2(3H)-one.

Project description:The title compound, C(25)H(23)N(3)O, features a benzene ring fused with a seven-membered 1,4-diazepine ring; the latter ring adopts a boat conformation with the (dimethyl-amino)methyl-bearing C atom as the prow and the fused-ring C atoms as the stern. There are two independent mol-ecules in the asymmetric unit with similar conformations.

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Project description:The seven-membered ring in the title compound, C(20)H(19)N(3)O(3), adopts a boat conformation with the two phenyl-ene C atoms representing the stern and the methyl-ene C atom the prow. The dihedral angle between the best plane through the seven-membered ring (r.m.s deviation = 0.358?Å) and the phenyl substituent is 55.8?(1)°. The two rings at either ends of the ethyl chain are staggered [N-CH(2)-CH(2)-N torsion angle = 57.5?(4)°].

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4-Methyl-2,3-dihydro-1H-1,5-benzodiazepin-2-one monohydrate.

Project description: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, forming a linear chain.

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