Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

N-[4-Cyano-3-(trifluoro-meth-yl)phen-yl]-2-meth-oxy-benzamide.

ABSTRACT: In the title compound, C(16)H(11)F(3)N(2)O(2), the carboxamide group connecting the two aromatic rings is in a syn-periplanar configuration; the mol-ecule is non-planar; the dihedral angle between the two aromatic rings is 13.95?(18)°. Intra-molecular N-H?O and C-H?O hydrogen bonds occur. In the crystal, mol-ecules are linked by inter-molecular C-H?O hydrogen bonds.

SUBMITTER: Nanjunda Swamy S

PROVIDER: S-EPMC3050277 | biostudies-other | 2010

REPOSITORIES: biostudies-other

ACCESS DATA

Json Xml

Publications

N-[4-Cyano-3-(trifluoro-meth-yl)phen-yl]-2-meth-oxy-benzamide.

Nanjunda Swamy S S Manjunath H R HR Priya B S BS Basappa Sridhar M A MA Rangappa K S KS

Acta crystallographica. Section E, Structure reports online 20101218 Pt 1

In the title compound, C(16)H(11)F(3)N(2)O(2), the carboxamide group connecting the two aromatic rings is in a syn-periplanar configuration; the mol-ecule is non-planar; the dihedral angle between the two aromatic rings is 13.95 (18)°. Intra-molecular N-H⋯O and C-H⋯O hydrogen bonds occur. In the crystal, mol-ecules are linked by inter-molecular C-H⋯O hydrogen bonds. ...[more]

PMID: 21522699

Similar Datasets

N-[4-Cyano-3-(trifluoro-meth-yl)phen-yl]-2-eth-oxy-benzamide.

Project description:In the title compound, C(17)H(13)F(3)N(2)O(2), the two aromatic rings are essentially coplanar, forming a dihedral angle of 2.78?(12)°. The non-H atoms of the eth-oxy group are coplanar with the attached ring [maximum deviation = 0.271?(3)?Å]. An intra-molecular N-H?O hydrogen bond occurs. In the crystal structure, mol-ecules are linked by inter-molecular C-H?N and C-H?F hydrogen bonds.

| S-EPMC3006830 | biostudies-other

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

N-(Cyano-meth-yl)benzamide.

Project description:In the structure of the title compound, C(9)H(8)N(2)O, the amide group is twisted by a dihedral angle of 21.86 (7)° with respect to the benzene ring, while the planes of the benzene ring and cyano-methyl group form a dihedral angle of 53.13 (11)°. In the crystal structure, mol-ecules are linked via N-H⋯O hydrogen bonds, forming a chain running parallel to the a axis.

| S-EPMC2983510 | biostudies-literature

2-[4-(Trifluoro-meth-oxy)phen-yl]-1H-benzimidazole.

Project description:In the title compound, C(14)H(9)F(3)N(2)O, the best planes of the benzimidazole group and benzene ring form a dihedral angle of 26.68 (3)°. In the crystal, N-H⋯N hydrogen bonds link the mol-ecules into infinite chains parallel to the c axis. Stacking inter-actions between the benzimidazole groups [centroid-centroid distance = 3.594 (5) Å] assemble the mol-ecules into layers parallel to (100). The trifluoro-methyl group is disordered over three sets of sites with site-occupancy factors of 0.787 (4), 0.107 (7) and 0.106 (7).

| S-EPMC3569794 | biostudies-literature

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

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

Project description: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.

| S-EPMC3009019 | 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

3-Meth-oxy-2-[2-({[6-(trifluoro-meth-yl)pyridin-2-yl]-oxy}meth-yl)phen-yl]prop-2-enoic acid.

Project description:The title mol-ecule, C(17)H(14)F(3)NO(4), consists of two nearly planar fragments, viz. the 2-benzyl-oxypyridine (r.m.s. deviation 0.016?Å) and (E)-3-meth-oxy-prop2-enoic (r.m.s. deviation 0.004?Å) units, which form a dihedral angle of 84.19?(7)°. In the crystal, pairs of O-H?O hydrogen bonds link mol-ecules into dimers that are further connected by C-H?O and C-H?F inter-actions into (001) layers. In addition, ?-? stacking inter-actions are observed within a layer between the pyridine and benzene rings [centroid-centroid distance = 3.768?(2)?Å]. The F atoms of the trifluoro-methyl group are disordered over two sets of sites in a 0.53?(4):0.47?(4) ratio.

| S-EPMC3515258 | biostudies-literature

(E)-2-[(3-Fluoro-phen-yl)imino-meth-yl]-4-(trifluoro-meth-oxy)phenol.

Project description:The title compound, C(14)H(9)F(4)NO(2), is a Schiff base which adopts the phenol-imine tautomeric form in the solid state. The H atom is located on the hydr-oxy O atom rather than on the N atom. This H atom is involved in a strong intra-molecular O-H?N hydrogen bond. The mol-ecule is almost planar, the angle between the benzene rings being 2.14?(13)°.

| S-EPMC2983675 | biostudies-literature

3-[2-Chloro-4-(trifluoro-meth-yl)phen-oxy]benzoic acid.

Project description:The asymmetric unit of the title compound, C(14)H(8)ClF(3)O(3), comprises two independent mol-ecules. The rings in each molecule are connected together via O-H?O hydrogen bonds to form classical hydrogen-bonded carb-oxy-lic acid dimers. The dihedral angles between the benzene rings are 80.7?(1) and 68.7?(1)°.

| S-EPMC3247442 | 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