Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

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⋯π inter-actions are present.

SUBMITTER: Yang XX

PROVIDER: S-EPMC2977785 | biostudies-literature | 2009 Apr

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

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

Yang Xing-Xing XX Zhou Chenglin C Qin Da-Bin DB

Acta crystallographica. Section E, Structure reports online 20090425 Pt 5

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⋯π inter-actions are present. ...[more]

PMID: 21583921

Similar Datasets

4-Anilino-3-nitro-N-phenyl-benzamide.

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 π-π 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.

| S-EPMC3011462 | biostudies-literature

2-Methyl-N-phenyl-benzamide.

Project description:In the structure of the title compound (NP2MBA), C(14)H(13)NO, the conformation of the C-O bond is syn to the ortho-methyl substituent in the benzoyl phenyl ring, while the N-H bond is anti to the ortho-methyl substituent. The structure of NP2MBA closely resembles that of 2-chloro-N-phenyl-benzamide, with similar bond parameters. The dihedral angle between the phenyl and benzoyl rings is 88.05 (5)°. Mol-ecules are linked into a chain through N-H⋯O hydrogen bonding.

| S-EPMC2960230 | biostudies-literature

Methyl 2-[2-(2,6-dichloro-anilino)-phenyl]-acetate.

Project description:In the title compound, C(15)H(13)Cl(2)NO(2), the dihedral angle between the aromatic rings is 63.80 (12)°. The conformation may be stabilized by a weak N-H⋯O hydrogen bond. In the crystal structure, a short C-Cl⋯π interaction occurs, with a Cl⋯π separation of 3.5706 (13) Å.

| S-EPMC2959891 | biostudies-literature

N-(4-Methyl-phenyl-sulfon-yl)-3-nitro-benzamide.

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.

| S-EPMC3998341 | biostudies-literature

(Z)-4-[(2-Amino-4,5-dichloro-anilino)(phenyl)methyl-idene]-3-methyl-1-phenyl-1H-pyrazol-5(4H)-one.

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].

| S-EPMC3515247 | biostudies-literature

3-Anilino-N-p-tolyl-benzamide.

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⋯π inter-actions are observed.

| S-EPMC2980203 | biostudies-literature

(2E)-2-(2,4-Dichloro-phenyl-sulfon-yl)-3-(4-methyl-anilino)-3-(methyl-sulfan-yl)acrylonitrile.

Project description:The title compound, C(17)H(14)Cl(2)N(2)O(2)S(2), and the 3-methoxy-anilino analogue reported in the preceding paper have been used as starting materials to develop benzothia-zine derivatives with anti-malarial activity. The mol-ecule displays an E (trans) configuration about the central double bond. Due to conjugation in the C=C-C N group, the putative single bond shows a significant shortening [1.418 (3) Å]. The mol-ecule has a six-membered ring involving an intra-molecular N-H⋯O(sulfon-yl) bond, which is an example of resonance-assisted hydrogen bonding. In the crystal structure, bonds of the C-H⋯O(sulfon-yl) and C-H⋯N(cyano) types form double layers of mol-ecules parallel to (01). Within these layers there are π-π inter-actions between benzene rings of pairs of centrosymmetrically related mol-ecules, with distances of 3.7969 (12) Å between centroids. C-H⋯π interactions are also present.

| S-EPMC2961619 | biostudies-literature

N,N'-[4,4'-Methyl-enebis(4,1-phenyl-ene)]bis-(2,6-difluoro-benzamide).

Project description:The complete mol-ecule of the title compound, C(27)H(18)F(4)N(2)O(2), is generated by crystallographic twofold symmetry, with one C atom lying on the rotation axis. The dihedral angle between fluoro-substituted phenyl ring and the adjacent benzene ring is 10.37 (5)°. In the crystal, mol-ecules are connected by N-H⋯O and C-H⋯F hydrogen bonds, resulting in supra-molecular chains propagating along the c direction.

| S-EPMC3151792 | biostudies-literature

(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, π-π 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.

| S-EPMC3793766 | biostudies-literature

4-[(3-Meth-oxy-anilino)methyl-idene]-2-phenyl-1,3-oxazol-5(4H)-one.

Project description:In the title compound, C(17)H(14)N(2)O(3), the oxazolone ring is essentially planar [maximum deviation = 0.004 (1) Å] and is oriented with respect to the phenyl and benzene rings at 10.06 (9) and 5.63 (8)°, respectively; the dihedral angle between the phenyl ring and the benzene ring is 15.69 (8)°. In the crystal, N-H⋯O hydrogen bonds link the mol-ecules into chains running along the a axis. Neighbouring chains are inter-connected by π-π stacking, the centroid-centroid distance being 3.6201 (9) Å.

| S-EPMC3343974 | biostudies-literature

OmicsDI is part of the ELIXIR infrastructure

OmicsDI is an Elixir interoperability service. Learn more ›

Tweets

OmicsDI Databases

PRIDE
PeptideAtlas
MassIVE
JPOST Repository
Physiome Model Repository

EGA
EVA
ENA
LINCS
PAXDB
Cell Collective

MetaboLights
Metabolomics Workbench
MetabolomeExpress
GNPS
BioModels
FAIRDOMHub

ArrayExpress
dbGaP
ExpressionAtlas
GEO
NODE

Information

Databases
Help
API
Contact us
Code on GitHub
Terms of use
Submit Data