Browse
Submit Data
Databases
API
Help

Dataset Information

25 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

4-Chloro-N-(2,3-dimethyl-phen-yl)benzamide.

ABSTRACT: In the title compound, C(15)H(14)ClNO, the ortho- and meta-methyl substituents in the aniline ring are anti to the N-H bond. The dihedral angle between the benzoyl and aniline benzene rings is 95.0?(1)°. N-H?O hydrogen bonds and C-H?? inter-actions link the mol-ecules in the crystal structure.

SUBMITTER: Rodrigues VZ

PROVIDER: S-EPMC3254536 | biostudies-literature | 2012 Jan

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

4-Chloro-N-(2,3-dimethyl-phen-yl)benzamide.

Rodrigues Vinola Z VZ Kameníček Jiří J Gowda B Thimme BT Kožíšek Jozef J

Acta crystallographica. Section E, Structure reports online 20111221 Pt 1

In the title compound, C(15)H(14)ClNO, the ortho- and meta-methyl substituents in the aniline ring are anti to the N-H bond. The dihedral angle between the benzoyl and aniline benzene rings is 95.0 (1)°. N-H⋯O hydrogen bonds and C-H⋯π inter-actions link the mol-ecules in the crystal structure. ...[more]

PMID: 22259483

Similar Datasets

2-Chloro-N-(2,3-dimethyl-phen-yl)benzamide.

Project description:In the title compound, C(15)H(14)ClNO, the N-H and C=O bonds in the amide group are anti to each other. The amide group is inclined at 60.3?(1)° to the chloro-substituted benzoyl ring and at 59.2?(1)° to the dimethyl-substituted aniline ring. The mean planes through the two benzene rings make a dihedral angle of 7.7?(1)°. In the crystal structure, mol-ecules are linked by inter-molecular N-H?O hydrogen bonds, forming chains along [010].

| S-EPMC3007441 | biostudies-literature

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

Project description:The conformation of the N-H bond in the structure of the title compound, C(15)H(15)NO, is anti to the ortho and meta-methyl substituents in the aniline benzene ring, in contrast to the syn conformation observed with respect to the ortho and meta-chloro substituents in N-(2,3-dichloro-phen-yl)benzamide. Furthermore, the conformations of N-H and C=O bonds in the amide group are anti to each other, similar to those observed in other benzanilides. The dihedral angle between the benzoyl and aniline rings is 84.1 (2)°. The amide group is twisted by 23.0 (3)° out of the plane of the benzoyl ring. The structure exhibits positional disorder over the aniline ring, with site occupancies of 0.80 (1) and 0.20 (1) for the major and minor components, respectively. In the crystal, mol-ecules are connected through N-H⋯O hydrogen bonds into chains running along the b axis. An intra-molecular C-H⋯O close contact occurs.

| S-EPMC2977665 | biostudies-literature

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

2-Chloro-N-(3,4-dimethyl-phen-yl)benzamide.

Project description:In the title compound, C(15)H(14)ClNO, the conformation of the N-H bond is anti to the meta-methyl group in the aniline ring, while that of the C=O bond is anti to the ortho-chloro group in the benzoyl ring. The mean planes through the two benzene rings make a dihedral angle of 80.8?(2)°. In the crystal, mol-ecules are linked by inter-molecular N-H?O hydrogen bonds, forming column-like chains along the b axis.

| S-EPMC3213471 | biostudies-literature

2-Chloro-N-(3,5-dimethyl-phen-yl)benzamide.

Project description:In the structure of the the title compound, C(15)H(14)ClNO, the N-H and C=O bonds are trans to each other and the amide O atom is anti to the ortho-Cl atom in the benzoyl ring. The amide group makes dihedral angles of 61.2?(6) and 42.2?(8)° with the benzoyl and aniline rings, respectively. In the crystal, the mol-ecules are linked into infinite chains by N-H?O hydrogen bonds.

| S-EPMC2968629 | biostudies-literature

4-Chloro-N-(2,6-dimethyl-phen-yl)benzamide.

Project description:The conformations of the N-H and C=O bonds in the structure of the title compound (N26DMP4CBA), C(15)H(14)ClNO, are anti to each other, similar to that observed in N-phenyl-benzamide, N-(3,4-dimethyl-phen-yl)benzamide, N-(2,6-dichloro-phen-yl)benzamide and other benzanilides. There are three mol-ecules in the asymmetric unit of N26DMP4CBA. The central amide group is tilted with respect to the benzoyl ring by 45.2?(1)° in mol-ecule 1, 21.2?(2)° in mol-ecule 2 and 14.9?(2)° in mol-ecule 3. The dihedral angles between the benzoyl and aniline rings are 39.9?(1), 51.0?(1) and 86.3?(3)° in mol-ecules 1, 2 and 3, respectively. Inter-molecular N-H?O hydrogen bonds link the mol-ecules into infinite chains running along the [101] direction. One xylyl group is disordered over two positions; the site occupancy factors are ca 0.6 and 0.4.

| S-EPMC2961789 | biostudies-literature

2-Chloro-N-(2,6-dimethyl-phen-yl)benzamide.

Project description:In the title compound, C(15)H(14)ClNO, the dihedral angle between the benzoyl and the aniline rings is 3.30 (18)°. In the crystal, N-H⋯O hydrogen bonds link the mol-ecules into chains running along the a axis.

| S-EPMC3344534 | biostudies-literature

4-Chloro-N-(2,3-dimethyl-phen-yl)benzene-sulfonamide.

Project description:In the title compound, C(14)H(14)ClNO(2)S, the two aromatic rings are tilted relative to each other by 34.7?(1)°. In the crystal, the mol-ecules form zigzag chains along the c axis via inter-molecular N-H?O hydrogen bonds.

| S-EPMC3120438 | biostudies-literature

2-Chloro-N-(2,3-dichloro-phen-yl)benzamide.

Project description:Two independent mol-ecules comprise the asymmetric unit in the title compound, C(13)H(8)Cl(3)NO, each with the amide N-H and C=O bonds trans to each other. The mol-ecules are linked into chains through inter-molecular N-H?O and N-H?Cl hydrogen bonds.

| S-EPMC2961795 | biostudies-other

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

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