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

ABSTRACT: 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.

SUBMITTER: Rida M

PROVIDER: S-EPMC3238984 | biostudies-literature |

REPOSITORIES: biostudies-literature

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rac-(3S,4S)-3-Hy-droxy-4-phenyl-1-[(S)-(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)meth-yl]-4,5-dihydro-1H-1,5-benzo-diazepin-2(3H)-one.

Project description:In the title compound, C(25)H(23)N(3)O(3), the seven-membered diazepine ring adopts a boat conformation with the hydroxy-substituted C atom at the prow and fused-ring C atoms at the stern. The crystal packing features C-H?O, C-H?? and N-H ?? inter-actions.

| S-EPMC3100042 | biostudies-literature

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

Project description: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.

| S-EPMC3588955 | biostudies-literature

5-Hy-droxy-3-phenyl-5-trifluoro-meth-yl-4,5-dihydro-1H-pyrazole.

Project description:The five-membered dihydro-pyrazole ring in the title compound, C(10)H(9)F(3)N(2)O, is approximately planar (r.m.s. deviation 0.111 Å for all non-H atoms) and its phenyl substituent is aligned at an angle of 14.7 (2)°. Adjacent mol-ecules are linked by N-H⋯O and O-H⋯N hydrogen bonds, generating ribbons running along the b axis of the monoclinic unit cell.

| S-EPMC3200976 | biostudies-literature

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)°.

| S-EPMC2979523 | biostudies-literature

3-Hy-droxy-4-phenyl-1-(prop-2-en-1-yl)-2,3,4,5-tetra-hydro-1H-1,5-benzodiazepin-2-one.

Project description:The asymmetric unit of the title compound, C(18)H(18)N(2)O(2), contains three independent mol-ecules. In each, the seven-membered diazepine ring adopts a boat conformation with the hy-droxy-substituted C atom at the prow and fused-ring C atoms at the stern. In the crystal, the mol-ecules are linked by O-H?O and N-H?O hydrogen bonds. The allyl group of one mol-ecule is equally disordered over two positions.

| S-EPMC3254569 | biostudies-literature

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.

| S-EPMC3213519 | biostudies-literature

Ethyl 2-(2-oxo-4-phenyl-2,3-dihydro-1H-1,5-benzodiazepin-1-yl)acetate.

Project description:The seven-membered ring in the title compound, C(19)H(18)N(2)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 = 0.343?Å) and the phenyl substituent is 31.9?(1)°. The dihedral angle between this best plane and the best plane through the eth-oxy-carbonyl-methyl substituent (r.m.s. deviation = 0.058?Å) is 72.2?(1)°.

| S-EPMC3007495 | biostudies-literature

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.

| S-EPMC2960137 | biostudies-literature

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.

| S-EPMC2971313 | biostudies-literature

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

Project description:The asymmetric unit of the title compound, C18H17N3O, consists of two independent mol-ecules, each having an E conformation with respect to the C=C bond between the benzodiazepinone and di-methyl-amine groups. In the crystal, the two independent mol-ecules are linked into a dimer by a pair of N-H⋯O hydrogen bonds.

| S-EPMC3998293 | biostudies-literature

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