Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

2-Chloro-N-(4-meth-oxy-phen-yl)benzamide.

ABSTRACT: In the title compound, C(14)H(12)ClNO(2), the chloro- and meth-oxy-substituted benzene rings are close to orthogonal [dihedral angle = 79.20?(3)°]. These rings also make angles of 45.9?(3) and 33.5?(3)° with the amide -CONH- unit. The meth-oxy substituent lies close to the meth-oxy-benzene ring plane, with a maximum deviation of 0.142?(3)?Å for the methyl C atom. The N-H bond is anti to the 2-chloro substituent of the aniline ring. In the crystal structure, inter-molecular N-H?O hydrogen bonds form C(4) chains augmented by a weak C-H?O inter-action involving an ortho H atom of the meth-oxy benzene ring that generates an R(2) (1)(6) motif. The chains stack the mol-ecules into columns down the b axis. Adjacent columns are linked by additional C-H?O and C-H?? contacts, generating a three-dimensional network.

SUBMITTER: Saeed A

PROVIDER: S-EPMC3009019 | biostudies-literature | 2010 Oct

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

2-Chloro-N-(4-meth-oxy-phen-yl)benzamide.

Saeed Aamer A Simpson Jim J

Acta crystallographica. Section E, Structure reports online 20101030 Pt 11

In the title compound, C(14)H(12)ClNO(2), the chloro- and meth-oxy-substituted benzene rings are close to orthogonal [dihedral angle = 79.20 (3)°]. These rings also make angles of 45.9 (3) and 33.5 (3)° with the amide -CONH- unit. The meth-oxy substituent lies close to the meth-oxy-benzene ring plane, with a maximum deviation of 0.142 (3) Å for the methyl C atom. The N-H bond is anti to the 2-chloro substituent of the aniline ring. In the crystal structure, inter-molecular N-H⋯O hydrogen bonds f ...[more]

PMID: 21589131

Similar Datasets

N-(4-Chloro-phen-yl)-4-meth-oxy-benzamide.

Project description:In the title compound, C(14)H(12)ClNO(2), the mean plane through the amide group [-N-C=O-] forms dihedral angles of 27.55?(8) and 31.94?(7)° with the meth-oxy- and chloro-substituted benzene rings, respectively. The dihedral angle between the benzene rings is 59.24?(4)°. In the crystal, N-H?O and weak C-H?O hydrogen bonds link the mol-ecules into chains along the a axis.

| S-EPMC3515183 | biostudies-literature

N-[(2-Chloro-phen-yl)sulfon-yl]-2-meth-oxy-benzamide.

Project description:The title compound, C14H12ClNO4S, crystallizes with two mol-ecules in the asymmetric unit. The dihedral angles between the benzene rings are 89.68?(1) (mol-ecule 1) and 82.9?(1)° (mol-ecule 2). In each mol-ecule, intra-molecular N-H?O hydrogen bonds between the amide H atom and the meth-oxy O atom generate S(6) loops. In the crystal, mol-ecule 2 is linked into inversion dimers through pairs of C-H?O inter-actions, forming an R 2 (2)(8) ring motif. Mol-ecules 1 and 2 are further linked along the b-axis direction through C-H?? inter-actions. The crystal structure is further stabilized by several ?-? stacking inter-actions [centroid-centroid separations = 3.7793?(1), 3.6697?(1) and 3.6958?(1)?Å], thus generating a three-dimensional architecture.

| S-EPMC3884364 | biostudies-literature

N-(4-Chloro-phen-yl)-4-meth-oxy-3-(propanamido)-benzamide cyclo-hexane hemisolvate.

Project description:The title compound, C(17)H(17)ClN(2)O(3)·0.5C(6)H(12), was prepared by the condensation reaction of 4-meth-oxy-3-(propanamido)-benzoic acid with 4-chloro-aniline. The Cl atom, the propionyl CH(3) group and the cyclo-hexyl CH(2) group are disordered over two sets of sites of equal occupancy in both mol-ecules. The cyclo-hexane solvent mol-ecule is disordered over two orientations which were modelled with relative occupancies of 0.484 (4) and 0.516 (4). In the crystal, there are a number of N-H⋯O hydrogen bonds, forming layers perpendicular to (001).

| S-EPMC3344590 | biostudies-literature

4-Meth-oxy-N-(4-meth-oxy-2-nitro-phen-yl)benzamide.

Project description:In the title compound, C(15)H(14)N(2)O(5), the central amide C-C(=O)-N-C unit forms dihedral angles of 28.17?(13) and 26.47?(13)° with the two benzene rings, whereas the two benzene rings are almost coplanar, making a dihedral angle of 4.52?(13)°. The two meth-oxy and the nitro substituents are almost coplanar with their attached benzene rings, with C-O-C-C torsion angles of -1.3?(4) and -4.6?(4)°, and an O-N-C-C torsion angle of 17.1?(3)°. In the crystal, mol-ecules are linked via C-H?O and N-H?O inter-actions, forming a tape running along the b axis.

| S-EPMC3470382 | biostudies-literature

Crystal structure of N-{4-[(6-chloro-pyridin-3-yl)meth-oxy]phen-yl}-2,6-di-fluoro-benzamide.

Project description:In the title compound, C19H13ClF2N2O2, the conformation of the N-H bond in the amide segment is anti to the C=O bond. The mol-ecule is not planar, with dihedral angles between the central benzene ring and the outer benzene and pyridyl rings of 73.35?(7) and 81.26?(6)°, respectively. A weak intra-molecular C-H?O hydrogen bond occurs. In the crystal, N-H?N, C-H?O and C-H?F hydrogen bonds lead to the formation of dimers. The N-H?N inversion dimers are linked by ?-? contacts between adjacent pyridine rings [centroid-centroid = 3.8541?(12)?Å] and C-H?? inter-actions. These contacts combine to stack the mol-ecules along the a axis.

| S-EPMC4704742 | biostudies-literature

N-[2-({[1-(4-Chloro-phen-yl)-1H-pyrazol-3-yl]-oxy}meth-yl)phen-yl]-N-meth-oxy-hydrazinecarboxamide.

Project description:In the title compound, C(18)H(18)ClN(5)O(3), the hydrazinecarboxamide N-N-C(O)-N unit is nearly planar [maximum deviation = 0.074?(2)?Å] and is inclined at a dihedral angle of 57.43?(7)° with respect to the plane of the attached benzene ring. The chloro-phenyl group makes dihedral angles of 19.71?(7) and 34.07?(6)° with the pyrazole and benzene rings, respectively. In the crystal, pairs of N-H?O hydrogen bonds link the mol-ecules into inversion dimers that are further linked into chains along the a-axis direction by N-H?N hydrogen bonds. In addition, ?-? stacking inter-actions are observed between benzene rings [centroid-centroid distance = 3.680?(1)?Å].

| S-EPMC3470263 | biostudies-literature

2-[4-(Chloro-meth-yl)phen-oxy]-4,6-dimeth-oxy-pyrimidine.

Project description:The title compound, C(13)H(13)ClN(2)O(3), was synthesized in the course of the search for novel bioactive pyrimidine derivatives. The C-O-C angle at the phen-oxy O atom is widened to 119.87 (18)°. The dihedral angle between the pyrimidine and benzene rings is 64.2 (3)°.

| S-EPMC3393921 | biostudies-literature

3-Chloro-N-(4-meth-oxy-phen-yl)propanamide.

Project description:The title compound, C(10)H(12)ClNO(2), is a halogenated derivative of a secondary amide bearing an aromatic substituent. The C(=O)-N(H)-C(ar)-C(ar) torsion angle of -33.70 (18)° rules out the presence of resonance spanning the amide as well as the aromatic system. In the crystal, classical N-H⋯O hydrogen bonds, as well as C-H⋯O contacts connect the mol-ecules into chains propagating along the a axis.

| S-EPMC3247603 | biostudies-literature

(E)-4-{2-[(4-Chloro-phen-yl)imino-meth-yl]phen-oxy}phthalonitrile.

Project description:In the title compound, C(21)H(12)ClN(3)O, the phenoxy ring makes dihedral angles of 51.42 (5) and 65.01 (6)°, respectively, with the chlorophenyl and phthalonitrile rings. In the crystal structure, the mol-ecules are inter-linked through weak C-H⋯N and C-H⋯π contacts, and π-π stacking inter-actions via crystallographic inversion centres form a three-dimensional network. The distance between the centroids of the phthalonitrile rings is 3.9104 (11)Å, with a slippage between the rings of 1.626 Å and a perpendicular distance between the rings of 3.556 Å.

| S-EPMC2977715 | biostudies-literature

2-{[3-Chloro-4-(4-chloro-phen-oxy)phen-yl]imino-meth-yl}-4-nitro-phenol.

Project description:In the title compound, C19H12Cl2N2O4, the imine bond length of 1.257 (6) Å is typical of a double bond. The dihedral angle between the para-nitro benzene ring and the central benzene ring is 12.06 (3)° and that between the central benzene and the para-chloro benzene ring is 73.81 (2)°. An intra-molecular O-H⋯N hydrogen bond generates an S(6) ring motif. In the crystal, mol-ecules are linked together by two pairs of C-H⋯O interactions (to the same O atom acceptor), forming inversion dimers. A short Cl⋯Cl contact [3.232 (4) Å] is observed.

| S-EPMC3685046 | 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