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2-Anilino-N-methyl-N-phenyl-benzamide.

ABSTRACT: The title compound, C(20)H(18)N(2)O, is composed of three aromatic rings, the dihedral angles between the phenyl and benzamide rings, and between the benzamide and aniline rings being 59.86?(9) and 46.57?(10)°, respectively. The mol-ecular structure is stabilized by an intra-molecular N-H?O hydrogen bond involving the amino H atom and the benzamide carbonyl O atom. In the crystal structure, C-H?O and C-H?? inter-actions are present.

SUBMITTER: Yang XX

PROVIDER: S-EPMC2977785 | biostudies-literature |

REPOSITORIES: biostudies-literature

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Project description:In the title compound, C(19)H(15)N(3)O(3), the anilino and benzamide rings make dihedral angles of 10.66?(16) and 50.39?(16)°, respectively, with the nitro-substituted benzene ring. The nitro group is slightly twisted by 11.49?(17)° with respect to the attached benzene ring. There is an intra-molecular N-H?O hydrogen bond forming an S(6) ring. In the crystal, weak inter-molecular N-H?O and C-H?O hydrogen bonds link the mol-ecules into a chain parallel to the b axis. Futhermore, weak slipped ?-? inter-actions [centroid-centroid distance = 3.819?(2)?Å, inter-planar distance = 3.567?Å and offset angle [how is the offset angle defined?] = 21°] between the anilino ring and its symmetry-related counterpart may help to stabilize the packing.

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Project description:In the title compound, C14H12N2O5S, the dihedral angle between the aromatic rings is 86.29 (1)° and the conformation between the C=O bond of the amide group and the meta-NO2 group is syn. The C-S-N-C torsion angle is -65.87 (19)° and the mol-ecule has an L-shaped conformation. In the crystal, the mol-ecules are connected into inversion dimers through pairs of N-H⋯O hydrogen bonds and C-H⋯O inter-actions forming R 2 (2)(8) and R 2 (2)(14) loops, respectively. The dimers are connected by further C-H⋯O inter-actions, thereby forming (100) sheets.

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Project description:The title compound, C(20)H(18)N(2)O, which crystallizes with two independent mol-ecules (A and B) in the asymmetric unit, is composed of three aromatic rings (I, II and III). The conformation of the two independent mol-ecules is slightly different. The dihedral angles between the central aromatic ring II and rings I and III are 47.13?(9) and 89.36?(9)°, respectively, for mol-ecule A, and 29.60?(9) and 70.72?(9)°, respectively, for mol-ecule B. Rings I and III are inclined to one another by 86.57?(9)° in mol-ecule A, and 64.59?(10)° in mol-ecule B. The mol-ecular structures are stabilized by intra-molecular N-H?O hydrogen bonds. In the crystal structure, mol-ecules are linked through inter-molecular N-H?O hydrogen bonds, forming chains propagating in the [010] direction. In addition, a number of C-H?? inter-actions are observed.

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Project description:The mol-ecule of the title compound, C(23)H(18)Cl(2)N(4)O, assumes a non-planar conformation in which the pyrazolone ring forms dihedral angles of 32.61?(19), 76.73?(14) and 52.57?(19)° with the three benzene rings. The secondary amino group is involved in an intra-molecular N-H?O hydrogen bond. In the crystal, mol-ecules are linked by pairs of N-H?O hydrogen bonds, forming inversion dimers. An offset stacking inter-action is observed between the chloro-substituted benzene rings protruding on both sides of these dimers [centroid-centroid distance = 3.862?(1)?Å].

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(Z)-3-Methyl-4-[1-(4-methyl-anilino)propyl-idene]-1-phenyl-1H-pyrazol-5(4H)-one.

Project description:In the title mol-ecule, C20H21N3O, the central pyrazole ring forms dihedral angles of 4.75?(9) and 49.11?(9)°, respectively, with the phenyl and methyl-substituted benzene rings. The dihedral angle between the phenyl and benzene rings is 51.76?(8)°. The amino group and carbonyl O atom are involved in an intra-molecular N-H?O hydrogen bond. In the crystal, ?-? inter-actions are observed between benzene rings [centroid-centroid seperation = 3.892?(2)?Å] and pyrazole rings [centroid-centroid seperation = 3.626?(2)?Å], forming chains along [111]. The H atoms of the methyl group on the p-tolyl substituent were refined as disordered over two sets of sites in a 0.60?(4):0.40?(4) ratio.

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(4Z)-4-[(4-Chloro-anilino)(phen-yl)methyl-ene]-3-methyl-1-phenyl-1H-pyrazol-5(4H)-one.

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| S-EPMC2980146 | biostudies-literature

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