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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.

Project description:In the title compound, C(21)H(16)F(2)N(2), the seven-membered 1,4-diazepine ring of the benzodiazepine ring system adopts a distorted-boat conformation. The benzene ring of this system makes dihedral angles of 18.6?(2) and 78.8?(2)° with those of two fluoro-phenyl substituents. In the crystal, inversion dimers linked by two weak C-H?F hydrogen bonds generate R(2) (2)(20) ring motifs. There are also weak N-H?? and C-H?? inter-actions.

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

Project description:In the title compound, C13H16N2S2, the seven-membered ring adopts a boat conformation, with the two phenyl-ene C atoms representing the stern and the methyl-ene C atom as the prow. The thione S atoms and N-bound ethyl groups lie on the opposite side of the mol-ecule to the phenyl-ene ring so that the mol-ecule approximates mirror symmetry. In the crystal, supra-molecular layers in the bc plane are sustained by a pair of C-H⋯S inter-actions to the same S atom acceptor.

| S-EPMC4384617 | biostudies-literature

1-Nitro-2,3-di-2-pyridyl-2,3-dihydro-indolizine.

Project description:The title compound, C(18)H(14)N(4)O(2), was found as a by-product in the nitro-aldol reaction between 2-(nitro-meth-yl)pyridine and N-(pyridin-2-ylmethyl-idene)methane-amine. Its two stereogenic centers give rise to four stereoisomers of which only the anti isomers are found in this crystal structure.

| S-EPMC2977657 | 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.

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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.

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The formation of 2,2,4-trimethyl-2,3-dihydro-1H-1,5-benzodiazepine from 1,2-diaminobenzene in the presence of acetone.

Project description:In an attempt to synthesize a 2-substituted benzimidazole from the reaction of o-phenylenediamine and isophthalic acid in the presence of acetone and ethanol under microwave irradiation, a salt of the isophthalate ion and 2,2,4-trimethyl-2,3-dihydro-1H-1,5-benzodiazepin-5-ium ion was obtained. The condensation of two moles of acetone with the amine groups resulted in the formation of the benzodiazepine which crystallized as an iminium cation forming a salt with the isophthalate anion. The formation of benzodiazepine was also confirmed by performing the reaction of o-phenylenediamine with excess acetone in ethanol under conventional heating conditions. The compounds were characterized by NMR, FTIR, HRMS and microanalysis as well as X-ray crystallography. The reaction mechanism leading to the formation of benzodiazepine is also discussed.

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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

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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1,3-Di-3-pyridyl-2,3-dihydro-1H-naphth[1,2-e][1,3]oxazine.

Project description:In the crystal structure of the title compound, C(22)H(17)N(3)O, the oxazine ring has a half-chair conformation. The dihedral angles between the best least-squares plane through the pyridine rings and the planar part (O-C-C-C-N) of the oxazine ring are 72.14?(6) and 35.44?(7)°, the smaller angle involving the pyridine ring adjacent to the oxazine O atom. The mol-ecule has two stereogenic centers at the oxazine carbons, RS and SR. The crystal packing reveals that symmetry-related mol-ecules are linked by inter-molecular N-H?N hydrogen bonds to form chains parallel to the b axis.

| S-EPMC2960797 | biostudies-other

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