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1,5-Dimethyl-3-[(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)meth-yl]-1H-1,5-benzodiazepine-2,4(3H,5H)-dione.

ABSTRACT: The reaction of 3-allyl-1,5-dimethyl-1,5-benzodiazepine-2,4-dione and benzaldoxime leads to the title compound, C(21)H(21)N(3)O(3). The mol-ecular structure is built up from two fused six- and seven-membered rings linked to a chain including a five- and six-membered ring (isoxazoline and phen-yl) via a methyl-ene group. The seven-membered ring displays a boat conformation. The dihedral angle between the two six-membered rings is 74.3?(1)°.

SUBMITTER: Dardouri R

PROVIDER: S-EPMC3009296 | biostudies-other | 2010

REPOSITORIES: biostudies-other

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1,5-Dimethyl-3-[(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)meth-yl]-1H-1,5-benzodiazepine-2,4(3H,5H)-dione.

Dardouri Rachida R Kandri Rodi Youssef Y Saffon Nathalie N El Ammari Lahcen L Essassi El Mokhtar el M

Acta crystallographica. Section E, Structure reports online 20101030 Pt 11

The reaction of 3-allyl-1,5-dimethyl-1,5-benzodiazepine-2,4-dione and benzaldoxime leads to the title compound, C(21)H(21)N(3)O(3). The mol-ecular structure is built up from two fused six- and seven-membered rings linked to a chain including a five- and six-membered ring (isoxazoline and phen-yl) via a methyl-ene group. The seven-membered ring displays a boat conformation. The dihedral angle between the two six-membered rings is 74.3 (1)°. ...[more]

PMID: 21589149

Similar Datasets

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.

| S-EPMC3052140 | biostudies-literature

3-{[3-(4-Meth-oxy-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 mol-ecule of the title compound, C(22)H(23)N(3)O(4), features a benzodiazepine fused-ring system whose seven-membered ring 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 methyl-ene C atom connected to the methine C atom occupies an equatorial position. The methyl-ene C atom is connected to the five-membered oxazole ring, both of which are disordered over two positions in a 0.634 (4):0.366 (4) ratio. Weak inter-molecular C-H⋯O hydrogen bonding is present in the crystal structure.

| S-EPMC3151967 | biostudies-literature

3-(12-Bromo-dodec-yl)-1,5-dimethyl-1H-1,5-benzodiazepine-2,4(3H,5H)-dione.

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.

| S-EPMC3009360 | biostudies-literature

7-Chloro-1,5-dipropargyl-1H-1,5-benzodiazepine-2,4(3H,5H)-dione.

Project description:The seven-membered ring of the title compound, C(15)H(11)ClN(2)O(2), adopts a boat-shaped conformation (with the C atoms of the fused-ring as the stern and the methyl-ene C atom as the prow). The N atoms exists in a trigonal-planar coordination; one of the acetyl-enic H atoms forms a C-H?O hydrogen bond to the O atom of an adjacent mol-ecule, generating a linear chain along a body diagonal.

| S-EPMC3011384 | biostudies-literature

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.

| S-EPMC3006968 | biostudies-literature

1,3,3,5-Tetra-methyl-1H-1,5-benzodiazepine-2,4(3H,5H)-dione.

Project description:The seven-membered ring in the title compound, C(13)H(16)N(2)O(2), adopts a boat-shaped conformation (with the C atoms of the fused-ring as the stern and the C atom bearing two methyl groups) as the prow.

| S-EPMC3100004 | biostudies-literature

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

Project description:The seven-membered ring of the title compound, C(25)H(40)N(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 tetra-decyl substituent occupies an equatorial position, with the tetra-dodecyl chain exhibibiting an an all-trans conformation.

| S-EPMC3052003 | biostudies-literature

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.

| S-EPMC3009200 | biostudies-other

3-Benzoyl-1,5-dimethyl-1H-1,5-benzodiazepine-2,4(3H,5H)-dione.

Project description:The seven-membered ring of the title compound, C(18)H(16)N(2)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 axial position, and the aromatic ring of the substituent is arched over the seven-membered ring in a parasol-like manner, the dihedral angle between the phenyl-ene and phenyl rings being 28.7?(1)°.

| S-EPMC3100047 | biostudies-other

3-Hexadecyl-1,5-dimethyl-1H-1,5-benzo-diazepine-2,4(3H,5H)-dione.

Project description:In the title mol-ecule, C(27)H(44)N(2)O(2), the seven-membered ring adopts a boat-shaped conformation, with two C atoms of the fused benzene ring forming the stern and the methine C atom forming the prow. The hexa-decyl substituent occupies an equatorial position, with the aliphatic chain exhibibiting an extended zigzag conformation.

| S-EPMC3089251 | biostudies-literature

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