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

ABSTRACT: 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.

SUBMITTER: Zemama RM

PROVIDER: S-EPMC2969969 | biostudies-literature |

REPOSITORIES: biostudies-literature

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1-Benzyl-3-[(dimethyl-amino)methyl-ene]-4-phenyl-1H-1,5-benzodiazepine-2(3H)-thione.

Project description:The title compound, C(25)H(23)N(3)S, crystallizes with two independent mol-ecules in the asymmetric unit. The seven-membered fused-ring adopts a boat conformation, with the two bridgehead C atoms representing the stern and the C atom bearing the exocyclic double bond the prow.

| S-EPMC2979192 | biostudies-literature

6-[(Dimethyl-amino)methyl-ene-amino]-1,3-dimethyl-pyrimidine-2,4(1H,3H)-dione dihydrate.

Project description:Uracil, the pyrimidine nucleobase, which combined with adenine forms one of the major motifs present in the biopolymer RNA, is also involved in the self-assembly of RNA. In the title compound, C(9)H(14)N(4)O(2)·2H(2)O, the asymmetric unit contains one dimethyl-amino-uracil group and two water mol-ecules. The plane of the N=C-NMe(2) side chain is inclined at 27.6?(5)° to the plane of the uracil ring. Both water mol-ecules form O-H?O hydrogen bonds with the carbonyl O atoms of the uracil group. Additional water-water hydrogen-bond inter-actions are also observed in the crystal structure. The O-H?O hydrogen bonds lead to the formation of a two-dimensional hydrogen-bonded network cage consisting of two dimethyl-amino-uracil groups and six water mol-ecules.

| S-EPMC2960636 | 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

(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].

| S-EPMC3914077 | biostudies-literature

catena-Poly[[diiodidocadmium]-?-[4,4'-(2,3,5,6-tetra-methyl-1,4-phenyl-ene)bis-(methyl-ene)]bis-(3,5-dimethyl-1H-pyrazole)-?N:N].

Project description:The heterocylic ligand of the polymeric title compound, [CdI(2)(C(22)H(30)N(4))], links two adjacent CdI(2) units, forming a chain running parallel to [[Formula: see text]01]. The Cd(II) atom is located on a twofold rotation axis and shows a distorted tetra-hedral CdI(2)N(2) coordination. The mid-point of the benzene ring of the ligand lies on a center of inversion. There are no classical hydrogen-bonding inter-actions present.

| S-EPMC3212128 | 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

6-Amino-1,3-dimethyl-5-[(E)-2-(methyl-sulfan-yl)benzyl-idene-amino]-pyrimidine-2,4(1H,3H)-dione.

Project description:The title compound, C(14)H(16)N(4)O(2)S, is a Schiff base derivative of 2-(methyl-sulfan-yl)benzaldehyde. The configuration about the C=N double bond is E. The heterocyclic ring is essentially planar (τ = 3.1°) and makes a dihedral angle of 12.24 (7)° with the benzene ring. An intra-molecular N-H⋯S hydrogen bond is observed. In the crystal, N-H⋯O and C-H⋯O hydrogen bonds link mol-ecules into layers perpendicular to [101]. The closest distance between the centroids of two heterocyclic rings was found to be 3.5268 (8) Å.

| S-EPMC3151916 | biostudies-literature

1,5-Dimethyl-4-[(5-methyl-2-furyl)-methyl-ene-amino]-2-phenyl-1H-pyrazol-3(2H)-one.

Project description:In the title compound, C(17)H(17)N(3)O(2), a derivative of 4-amino-anti-pyrine, the structure displays a trans configuration with respect to the imine C=N double bond. The pyrazoline ring is essentially planar and makes a dihedral angle of 55.80?(1)° with the phenyl ring.

| S-EPMC2961514 | biostudies-literature

(4Z)-4-[(4-Methoxy-benzyl-amino)(phen-yl)methyl-ene]-3-methyl-1-phenyl-1H-pyrazol-5(4H)-one.

Project description:In the title compound, C(25)H(23)N(3)O(2), the dihedral angles formed by the pyrazolone ring with the three aromatic rings are 14.59?(7), 79.35?(5) and 87.10?(6)°. Three intra-molecular C-H?O, C-H?N and N-H?O hydrogen-bond inter-actions are present. The crystal structure is stabilized by two weak inter-molecular C-H?O and C-H?N hydrogen-bond inter-actions.

| S-EPMC2971322 | biostudies-literature

Dimethyl 3,3'-(phenyl-methyl-ene)bis-(1H-indole-2-carboxyl-ate).

Project description:In the title compound, C27H22N2O4, the two indole ring systems are approximately perpendicular to each other, with a dihedral angle of 84.5?(5)° between their planes; the benzene ring is twisted with respect to the two indole ring systems at angles of 78.5?(5) and 86.5?(3)°. In the crystal, mol-ecules are linked by N-H?O hydrogen bonds, weak C-H?O and C-H?N hydrogen bonds, and C-H?? inter-actions into a three-dimensional supra-molecular architecture.

| S-EPMC3790385 | biostudies-literature

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