Browse
Submit Data
Databases
API
Help

Dataset Information

9 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

4-Chloro-N-o-tolyl-benzamide.

ABSTRACT: In the mol-ecule of the title compound, C(14)H(12)ClNO, the two benzene rings are close to coplanar [dihedral angle = 7.85?(4)°]. The amide N-C=O plane makes dihedral angles of 34.04?(4) and 39.90?(3)°, respectively, with the 4-chloro- and 2-methyl-phenyl rings. In the crystal structure, inter-molecular N-H?O hydrogen bonds link the mol-ecules into chains.

SUBMITTER: Saeed A

PROVIDER: S-EPMC2959280 | biostudies-literature | 2008 Sep

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

4-Chloro-N-o-tolyl-benzamide.

Saeed Aamer A Khera Rasheed Ahmad RA Abbas Naeem N Gotoh Kazuma K Ishida Hiroyuki H

Acta crystallographica. Section E, Structure reports online 20080930 Pt 10

In the mol-ecule of the title compound, C(14)H(12)ClNO, the two benzene rings are close to coplanar [dihedral angle = 7.85 (4)°]. The amide N-C=O plane makes dihedral angles of 34.04 (4) and 39.90 (3)°, respectively, with the 4-chloro- and 2-methyl-phenyl rings. In the crystal structure, inter-molecular N-H⋯O hydrogen bonds link the mol-ecules into chains. ...[more]

PMID: 21201235

Similar Datasets

4-Chloro-N-m-tolyl-benzamide.

Project description:In the title compound, C(14)H(12)ClNO, the dihedral angle between the two aromatic rings is 11.29?(15)°. The crystal packing is stabilized by N-H?O hydrogen bonds linking the mol-ecules into chains running along the c axis.

| S-EPMC2969756 | biostudies-literature

2-Fluoro-N-o-tolyl-benzamide.

Project description:In the title compound, C(14)H(12)FNO, the ortho-F atom and corresponding H atom on the fluoro-benzene ring are disordered over two positions with occupancies of 0.856?(4) and 0.144?(4). The amide unit is planar with a maximum deviation of 0.0057?(16)?Å and the amide plane makes dihedral angles of 38.27?(11)° with the fluoro-benzene ring plane and 37.53?(10)° with the tolyl ring. The two benzene rings are inclined at an angle of 4.17?(15)°. In the crystal structure, chains form along b through N-H?O hydrogen bonds augmented by C-H?? inter-actions. Additional inter-molecular C-H?O and C-H?F hydrogen bonds further stabilize the structure, forming layers in the ac plane.

| S-EPMC2968107 | 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?? inter-actions are observed.

| S-EPMC2980203 | biostudies-literature

2,4-Dichloro-N-o-tolyl-benzamide.

Project description:In the title compound, C(14)H(11)Cl(2)NO, the central C-C(O)-N-C amide unit makes dihedral angles of 68.71?(11) and 54.92?(12)°, respectively, with the dichloro-benzene and tolyl rings. The two aromatic rings are inclined at 16.25?(17)°. In the crystal, N-H?O hydrogen bonds link mol-ecules into zigzag chains propagating in [001]. C-H?Cl contacts link these chains and additional C-H?O contacts generate stacks down b. Weak C-H?? and C-Cl?? inter-actions [Cl?centroid distance = 3.5422?(15)?Å] may also stabilize the structure.

| S-EPMC2969429 | biostudies-literature

2-Methyl-N-o-tolyl-benzamide.

Project description:In the title compound, C(15)H(15)NO, the C-N-C(O)-C amide unit is planar (r.m.s. deviation = 0.003?Å) and subtends dihedral angles of 44.71?(5) and 43.33?(5)° with the two o-tolyl rings. These aromatic rings are inclined at 4.94?(7)° to one another. The ortho-methyl groups of the two tolyl rings are anti to one another. In the crystal structure, N-H?O hydrogen bonds augmented by C-H?? inter-actions link the mol-ecules in a head-to-head fashion into chains along a. Independent chains pack in a herringbone pattern along c.

| S-EPMC2980266 | biostudies-other

2,4-Dichloro-N-p-tolyl-benzamide.

Project description:In the title compound, C(14)H(11)Cl(2)NO, the C-N-C(=O)-C amide unit is almost planar (r.m.s. deviation = 0.0317?Å) and subtends dihedral angles of 65.93?(6) and 29.45?(7)°, respectively, to the dichloro-benzene and tolyl rings. The two aromatic rings are inclined at 37.92?(6)° to one another. In the crystal structure, N-H?O hydrogen bonds link the mol-ecules into chains along b. Additional weak C-H?Cl and C-H?O hydrogen bonds combine with C-H?? and very weak ?-? contacts [Cg?Cg distance = 4.0217?(12)?Å] to stack the mol-ecules down b.

| S-EPMC2970402 | biostudies-other

3-Chloro-N-(3-chloro-phen-yl)benzamide.

Project description:In the crystal structure of the title compound, C(13)H(9)Cl(2)NO, the N-H and C=O bonds are anti to each other in the two independent mol-ecules. In one mol-ecule, the N-H bond is syn to the meta-chloro group of the attached ring; it is anti in the other mol-ecule. This relationship is also observed between the C=O bond and the meta-chloro substituent of its attached ring. The amide -NHCO- group makes dihedral angles of 31.5?(4) and 34.7?(3)° with the aniline rings; it makes dihedral angles of 37.4?(3) and 37.2?(3)° with the benzoyl rings. The two rings are nearly coplanar, with dihedral angles of 9.1?(2) and 7.3?(3)° in the two independent mol-ecules. Adjacent mol-ecules are linked into infinite chains through N-H?O hydrogen bonds.

| S-EPMC2961234 | biostudies-literature

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

Project description:In the mol-ecular structure of the title compound, C(13)H(9)Cl(2)NO, the amide N-C=O plane makes dihedral angles of 31.53?(8) and 36.23?(8)°, respectively, with the 4-chloro- and 2-chloro-phenyl rings. The dihedral angle between the two benzene rings is 6.25?(8)°. The mol-ecules are stacked in columns along the b axis through inter-molecular N-H?O hydrogen bonds. The columns are further connected by weak C-H?O hydrogen bonds. The compound is not isomorphous with the fluoro analogue.

| S-EPMC2959385 | biostudies-literature

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

Project description:In the title compound, C(13)H(9)Cl(2)NO, the meta-Cl atom in the benzoyl ring is positioned anti to the C=O bond, while the ortho-Cl atom in the aniline ring is positioned syn to the N-H bond. The two aromatic rings are almost coplanar, making a dihedral angle of 4.73?(5)°. The crystal structure is stabilized by N-H?O hydrogen bonds, which link the mol-ecules into chains along the b axis.

| S-EPMC3254408 | biostudies-literature

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

Project description:In the structure of the the title compound, C(13)H(9)Cl(2)NO, the N-H and C=O groups are mutually trans. Furthermore, the conformation of the C=O group is syn to the ortho-chloro group in the benzoyl ring, while the N-H bond is anti to the meta-chloro group in the aniline ring. The amide group forms dihedral angles of 89.11?(19) and 22.58?(37)°, respectively, with the benzoyl and aniline rings, while the benzoyl and aniline rings form a dihedral angle of 69.74?(14)°. The mol-ecules are linked into infinite chains through inter-molecular N-H?O hydrogen bonds.

| S-EPMC2961659 | 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