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(E)-2-(2,3-Dimethyl-anilino)-N'-(thio-phen-2-yl-methyl-idene)benzohydrazide.

ABSTRACT: In the title compound, C(20)H(19)N(3)OS, the central benzene ring makes dihedral angles of 45.36 (9) and 55.33 (9)° with the thio-phene ring and the dimethyl-substituted benzene ring, respectively. The dihedral angle between the thio-phene ring and dimethyl-substituted benzene ring is 83.60 (9)°. The thio-phene ring and the benzene ring are twisted from the mean plane of the C(=O)-N-N=C bridge [maximum deviation = 0.0860 (13) Å], with dihedral angles of 23.86 (9) and 24.77 (8)°, respectively. An intra-molecular N-H⋯O hydrogen bond generates an S(6) ring. In the crystal, mol-ecules are linked by N-H⋯O and C-H⋯O hydrogen bonds to the same acceptor atom, forming sheets lying parallel to the bc plane. The crystal packing also features C-H⋯π inter-actions.

SUBMITTER: Fun HK

PROVIDER: S-EPMC3414973 | biostudies-literature |

REPOSITORIES: biostudies-literature

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N'-[(5-Methyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)(thio-phen-2-yl)methyl-idene]benzohydrazide.

Project description:In the title compound, C(22)H(18)N(4)O(2)S, the seven-membered ring generated by an intra-molecular N-H⋯O hydrogen bond adopts an envelope conformation in both of the two independent mol-ecules in the asymmetric unit. In the crystal, mol-ecules are linked into C(9) chains along [100] by N-H⋯O hydrogen bonds. The mol-ecules are also weakly linked by C-H⋯O and C-H⋯N inter-actions, forming dimers with edge-connected R(2) (2)(9) rings. The dimers are inter-linked by further weak C-H⋯N hydrogen bonds into chains along [010].

| S-EPMC3344500 | biostudies-literature

[2-(2,3-Dimethyl-anilino)phen-yl]methanol.

Project description:In the title compound, C(15)H(17)NO, the 2,3-dimethyl-phenyl group is disordered over two sites with an occupancy ratio of 0.869 (3):0.131 (3). The major and minor components of the 2,3-dimethyl-anilino group are planar, with r.m.s. deviations of 0.0214 and 0.0303 Å, respectively, and are oriented at a dihedral angle of 2.6 (6)°. The phenyl-methanol-benzene ring is oriented at dihedral angles of 83.16 (6) and 81.0 (3)° with respect to the major and minor components of the 2,3-dimethyl-anilino group, respectively. An S(6) ring motif is present due to intra-molecular N-H⋯O hydrogen bonding. In the crystal, mol-ecules are connected into supra-molecular chains via O-H⋯O hydrogen bonding along the b axis. C-H⋯π inter-actions help to stabilize the crystal structure.

| S-EPMC3008038 | biostudies-literature

N-{(E)-[4-(Dimethyl-amino)-phen-yl]methyl-idene}-2,3-dimethyl-aniline.

Project description:There are two independent mol-ecules in the asymmetric unit of the title compound, C(17)H(20)N(2), in which the dihedral angles between the aromatic rings are 30.34?(11) and 41.44?(8)°. In the crystal, weak C-H?? inter-actions may help to establish the packing.

| S-EPMC3007336 | biostudies-literature

2-(2,3-Dimethyl-anilino)benzohydrazide.

Project description:In the title compound, C(15)H(17)N(3)O, the dihedral angle between the benzene rings is 58.05 (9)°. The non-H atoms of the hydrazide group lie in a common plane (r.m.s. deviation = 0.0006 Å) and are close to coplanar with their attached benzene ring [dihedral angle = 8.02 (9)°]. An intra-molecular N-H⋯O hydrogen bond generates an S(6) ring motif in the mol-ecule, and a short intra-molecular contact (H⋯H = 1.88 Å) is also observed. In the crystal, mol-ecules are linked by pairs of N-H⋯N hydrogen bonds into inversion dimers. The crystal packing also features C-H⋯π inter-actions.

| S-EPMC3414975 | biostudies-literature

(E)-N'-[1-(Thio-phen-2-yl)ethyl-idene]benzohydrazide.

Project description:The title compound, C(13)H(12)N(2)OS, was obtained from the condensation reaction of 2-acetyl-thio-phene and benzohydrazide. In the mol-ecule, the formohydrazide fragment is approximately planar (r.m.s deviation = 0.0146 Å) and the mean plane is oriented at dihedral angles of 24.47 (11) and 28.86 (13)°, respectively, to the phenyl and thio-phene rings. The thio-phene and phenyl rings make a dihedral angle of 53.21 (8)°. The benzamide fragment and thio-phene ring are located on the opposite sides of the C=N bond, showing an E conformation. Classical inter-molecular N-H⋯O hydrogen bonds and weak C-H⋯O inter-actions are present in the crystal structure: three such bonds occur to the same O-atom acceptor.

| S-EPMC3200815 | biostudies-literature

3-Acetyl-1-(2,3-dimethyl-phen-yl)thio-urea.

Project description:In the crystal structure of the title compound, C(11)H(14)N(2)OS, the conformation of the two N-H bonds is anti. The conformation of the C=S and the C=O bonds is also anti. Furthermore, the N-H bond adjacent to the benzene ring is anti to the ortho- and meta-methyl groups. The dihedral angle between the benzene ring and the side chain [N-C(= S)-N-C(=O)-C; maximum deviation = 0.047 (4) Å] is 81.33 (10)°. The NH hydrogen adjacent to the benzene ring and the amide O atom exhibit bifurcated intra- and inter-molecular hydrogen bonding. In the crystal, mol-ecules form inversion dimers, which are linked into chains via R(2) (2)(12) and R(2) (2)(8) networks.

| S-EPMC3393991 | biostudies-literature

(E)-2-(2,3-Dimethyl-anilino)-N'-[2-methyl-5-(prop-1-en-2-yl)cyclo-hex-2-enyl-idene]benzohydrazide.

Project description:The asymmetric unit of the title compound, C(25)H(29)N(3)O, comprises two crystallographically independent mol-ecules. The dihedral angles between the benzene rings in the two mol-ecules are 59.7?(2) and 61.27?(18)°. The cyclo-hexene rings adopt sofa and half-chair conformations. In the crystal, mol-ecules are connected via N-H?O and weak C-H?O hydrogen bonds, forming chains along the a axis. In each mol-ecule, there is an intra-molecular N-H?O hydrogen bond.

| S-EPMC3344081 | biostudies-other

N-(2,3-Dimethyl-phen-yl)-2-methyl-benzamide.

Project description:In the title compound, C(16)H(17)NO, the two aromatic rings make a dihedral angle of 5.9 (2)°, while the central amide core -NH-C(=O)- is twisted by 44.0 (3) and 47.1 (3)° out of the planes of the 2,3-dimethyl-phenyl and 2-methyl-phenyl rings, respectively. In the crystal, N-H⋯O hydrogen bonds link the mol-ecules into infinite chains running along the b axis.

| S-EPMC3239120 | biostudies-literature

5,6-Dimethyl-2-(5-methyl-thio-phen-2-yl)-1-[(5-methyl-thio-phen-2-yl)meth-yl]-1H-benzimidazole.

Project description:The title mol-ecule, C20H20N2S2, is T-shaped and consists of a nearly flat 5,6-dimethyl-2-(5-methyl-thio-phen-2-yl)benzimidazole system approximately perpendicular to the 5-methyl-thio-phen-2-ylmethyl substituent. The 5,6-dimethyl-2-(5-meth-yl-thio-phen-2-yl)benzimidazole system is rotationally disordered about the two imidazole N atoms as approximated by a twofold rotation axis with a refined major/minor occupancy ratio of 0.884 (2):0.116 (2). The benzimidazole ring system is essentially planar, the largest deviations being 0.026 (2) and 0.044 (18) Å in the major and minor components, respectively. The inter-planar angles between the benzimidazole unit and the 5-methyl-thio-phen-2-yl substituent are 10.8 (3) and 8(3)° in the major and minor components, respectively, and the corresponding angles with the 5-methyl-thio-phen-2-ylmethyl substituent are 88.12 (8) and 89.5 (4)°. In the crystal, mol-ecules are oriented with their 2-(5-methyl-thio-phen-2-yl)benzimidazole mean planes approximately parallel to (11[Formula: see text]) and appear to be held together by π-π [2-thiophene⋯imidazole centroid-centroid distance = 4.1383 (7) Å] and C-H⋯π contacts. A weak C-H⋯N hydrogen bond generates infinite chains parallel to [100].

| S-EPMC3998620 | biostudies-literature

1-(3-Chloro-benzo-yl)-3-(2,3-dimethyl-phen-yl)thio-urea.

Project description:The title mol-ecule, C(16)H(15)ClN(2)OS, exists in the solid state in its thione form with typical thio-urea C-S and C-O bonds lengths, as well as shortened C-N bonds. An intra-molecular N-H?O hydrogen bond stabilizes the mol-ecular conformation and inter-molecular N-H?S hydrogen bonds link the mol-ecules into centrosymmetric dimers. The dihedral angle between the aromatic rings is 50.18?(5)°.

| S-EPMC2968148 | biostudies-literature

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