Browse
Submit Data
Databases
API
Help

Dataset Information

15 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

2-Methyl-N-(4-methyl-phen-yl)benzamide.

ABSTRACT: The conformations of the N-H and C=O bonds in the structure of the title compound, C(15)H(15)NO, are trans to each other. Furthermore, the position of the amide O atom is syn to the ortho-methyl group in the benzoyl ring. The central amide group is tilted at an angle of 59.96?(11)° to the benzoyl ring, and the benzoyl and aniline rings form a dihedral angle of 81.44?(5)°. N-H?O hydrogen bonds link the mol-ecules into infinite chains running along the c axis.

SUBMITTER: Gowda BT

PROVIDER: S-EPMC2962118 | biostudies-literature | 2008 Jul

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

2-Methyl-N-(4-methyl-phen-yl)benzamide.

Gowda B Thimme BT Tokarčík Miroslav M Kožíšek Jozef J Sowmya B P BP Fuess Hartmut H

Acta crystallographica. Section E, Structure reports online 20080716 Pt 8

The conformations of the N-H and C=O bonds in the structure of the title compound, C(15)H(15)NO, are trans to each other. Furthermore, the position of the amide O atom is syn to the ortho-methyl group in the benzoyl ring. The central amide group is tilted at an angle of 59.96 (11)° to the benzoyl ring, and the benzoyl and aniline rings form a dihedral angle of 81.44 (5)°. N-H⋯O hydrogen bonds link the mol-ecules into infinite chains running along the c axis. ...[more]

PMID: 21203206

Similar Datasets

N-(4-Methyl-phen-yl)benzamide.

Project description:The structure of the title compound, C(14)H(13)NO, resembles those of N-(2-chloro-phen-yl)benzamide, 2-chloro-N-phenyl-benzamide, N-(2,3-dichloro-phen-yl)benzamide, N-(3,4-dichloro-phen-yl)benzamide and 2-chloro-N-(2-chloro-phen-yl)benzamide with similar bond parameters. The benzene and methylphenyl rings have a dihedral angle of 63.41?(5)°, while the amide group makes a dihedral angle of 20.5?(1)° with the benzene ring. The mol-ecules are linked into chains in the b-axis direction by N-H?O hydrogen bonds.

| S-EPMC2915039 | biostudies-literature

N-(3-Methyl-phen-yl)benzamide.

Project description:The asymmetric unit of the title compound, C(14)H(13)NO, contains four mol-ecules, which are linked through N-H?O hydrogen bonds into two symmetry-independent chains running parallel to [001] and [101]. The N-H and C=O bonds of the amide groups are trans oriented in all four mol-ecules. The mol-ecules are not planar and both aromatic rings are twisted strongly relative to the plane of the amide group. The dihedral angle between the two benzene rings ranges from 70.6?(2) to 74.2?(2)°. The N-H bond is anti to the meta-methyl substituent in the aniline fragment in three of the four symmetry-independent mol-ecules. In the fourth mol-ecule, the aniline unit is disordered over two nearly coplanar positions; the anti and syn conformers occupy the same site in the crystal with equal probability.

| S-EPMC2959694 | biostudies-literature

N-{4-[(3-Methyl-phen-yl)sulfamo-yl]phen-yl}benzamide.

Project description:In the title compound, C(20)H(18)N(2)O(3)S, the dihedral angle between the central benzene ring and the amide group is 24.1?(3)° and that between this ring and the aromatic ring of the tolyl group is 68.2?(16)°. In the crystal, adjacent mol-ecules are linked by N-H?O hydrogen bonds into a linear chain running along [100]. Weak C-H?O contacts also occur. Extensive weak ?-? inter-actions exist from both face-to-face and face-to-edge inter-actions occur between the aromatic rings [centroid-centroid distances = 3.612?(2) and 4.843?(2)?Å].

| S-EPMC3247601 | biostudies-literature

2-Methyl-N-(3-methyl-phen-yl)benzamide.

Project description:In the structure of the title compound (N3MP2MBA), C(15)H(15)NO, the conformation of the N-H bond is anti to the meta-methyl substituent in the aniline ring and that of the C=O bond is syn to the ortho-methyl substituent in the benzoyl ring, while the conformations of the N-H and C=O bonds are anti to each other. The bond parameters in N3MP2MBA are similar to those in 2-methyl-N-phenyl-benzamide, N-(3,4-dimethyl-phen-yl)benzamide and other benzanilides. The amide group, -NHCO-, makes a dihedral angle of 55.2?(7)° with the benzoyl ring, while the dihedral angle between the two benzene rings (benzoyl and aniline) is 36.2?(1)°. N-H?O hydrogen bonds give rise to infinite chains running along the b axis of the crystal structure.

| S-EPMC2960197 | biostudies-literature

3-Methyl-N-(4-methyl-phen-yl)benzamide.

Project description:In the title compound, C(15)H(15)NO, the two aromatic rings make a dihedral angle of 70.06?(3)°, while the central amide core -NH-C(=O)- is twisted by 30.24?(4) and 40.16?(3)° out of the planes of the 3-methyphenyl and 4-methyphenyl rings, respectively. The methyl groups are disordered over two equally occupied positions. In the crystal, inter-molecular N-H?O hydrogen bonds link the mol-ecules into infinite chains running along the a axis.

| S-EPMC3247311 | biostudies-literature

4-Methyl-N-(2-methyl-phen-yl)benzamide.

Project description:The asymmetric unit of the title compound, C(15)H(15)NO, contains two independent mol-ecules, which differ in the dihedral angle between the aromatic rings [48.98?(9) and 57.48?(8)°]. The methyl groups in para positions are disordered over two equally occupied positions. An intra-molecular N-H?O hydrogen bond occurs. The crystal structure is stabilized by inter-molecular N-H?O hydrogen bonds which link the mol-ecules into chains running along the b axis.

| S-EPMC3120561 | biostudies-literature

4-Methyl-N-(4-methyl-phen-yl)benzamide.

Project description:In the title compound, C(15)H(15)NO, the amide fragment has an anti conformation. The central amide group is tilted with respect to the benzoyl ring, forming a dihedral angle of 32.3?(5)°. The benzoyl and aniline rings make a dihedral angle of 59.6?(5)°. Mol-ecules are linked into infinite supra-molecular chains via N-H?O hydrogen bonds. The mol-ecule is disordered so that the aromatic rings are disposed across a twofold axis with equal occupancies.

| S-EPMC2968584 | 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

N-(3-Chloro-phen-yl)-2-methyl-benzamide.

Project description:The conformation of the N-H bond in the structure of the title compound, C(14)H(12)ClNO, is anti to the meta-chloro substituent in the aniline ring, while the C=O bond is syn to the ortho-methyl substituent in the benzoyl ring. The conformations of the N-H and C=O bonds are anti to each other, similar to those observed in 2-methyl-N-(3-methyl-phen-yl)benzamide (N3MP2MBA). The -NHC(=O)- group makes a dihedral angle of 55.8?(7)° with the benzoyl ring, while the angle between the benzoyl and aniline rings is 37.5?(1)°; the respective values for N3MP2MBA are 55.2?(7) and 36.2?(1)°. N-H?O hydrogen bonds link the mol-ecules into infinite chains running along the c axis.

| S-EPMC2961145 | biostudies-literature

N-(4-Chloro-phen-yl)-2-methyl-benzamide.

Project description:In the structure of the title compound, C(14)H(12)ClNO, the N-H and C=O bonds are trans to each other. Furthermore, the C=O bond is syn to the ortho-methyl group in the benzoyl ring, similar to what is observed in 2-methyl-N-(4-methyl-phen-yl)benzamide and 2-methyl-N-phenyl-benzamide. The amide linkage (-NHCO-) makes dihedral angles of 36.9?(7) and 46.4?(5)° with the aniline and benzoyl rings, respectively, while the dihedral angle between the benzoyl and aniline rings is 83.1?(1)°. In the crystal structure, mol-ecules form chains running along the b axis through N-H?O hydrogen bonds.

| S-EPMC2968167 | biostudies-literature

OmicsDI is part of the ELIXIR infrastructure

OmicsDI is an Elixir interoperability service. Learn more ›

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