Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

N-(4-Chloro-phen-yl)-2,2-diphenyl-acetamide.

ABSTRACT: In the title compound, C(20)H(16)ClNO, an S(6) ring motif is formed via an intra-molecular C-H⋯O hydrogen bond. The chloro-substituted benzene ring is almost perpendicular to the benzene rings, forming dihedral angles of 87.33 (9) and 88.69 (9)°. The dihedral angle between the benzene rings is 87.17 (9)°. In the crystal, mol-ecules are linked into chains parallel to the c axis by inter-molecular N-H⋯O hydrogen bonds. The crystal packing also features weak C-H⋯π inter-actions involving the chloro-substituted ring.

SUBMITTER: Fun HK

PROVIDER: S-EPMC3414999 | biostudies-literature | 2012 Aug

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

N-(4-Chloro-phen-yl)-2,2-diphenyl-acetamide.

Fun Hoong-Kun HK Loh Wan-Sin WS Nayak Prakash S PS Narayana B B Sarojini B K BK

Acta crystallographica. Section E, Structure reports online 20120725 Pt 8

In the title compound, C(20)H(16)ClNO, an S(6) ring motif is formed via an intra-molecular C-H⋯O hydrogen bond. The chloro-substituted benzene ring is almost perpendicular to the benzene rings, forming dihedral angles of 87.33 (9) and 88.69 (9)°. The dihedral angle between the benzene rings is 87.17 (9)°. In the crystal, mol-ecules are linked into chains parallel to the c axis by inter-molecular N-H⋯O hydrogen bonds. The crystal packing also features weak C-H⋯π inter-actions involving the chloro ...[more]

PMID: 22904986

Similar Datasets

N-(3-Chloro-4-fluoro-phen-yl)-2,2-diphenyl-acetamide.

Project description:In the title compound, C(20)H(15)ClFNO, the dihedral angles between the mean planes of the acetamide group and the chloro-fluoro-substituted benzene ring and the two phenyl rings are 10.8 (8), 81.9 (7) and 85.8 (5)°, respectively. The crystal packing is stabilized by N-H⋯O hydrogen bonds and weak C-H⋯O inter-molecular inter-actions, forming infinite chains along the c axis.

| S-EPMC3201262 | biostudies-literature

2,2-Diphenyl-N-(2,4,5-trichloro-phen-yl)acetamide.

Project description:The asymmetric unit of the title compound, C(20)H(14)Cl(3)NO, consists of two independent mol-ecules. In one mol-ecule, the chlorinated benzene ring forms dihedral angles of 12.00 (9) and 77.04 (9)° with the phenyl rings. The dihedral angle between the phenyl rings is 80.37 (10)°. The corresponding dihedral angles for the other mol-ecule are 26.34 (10), 62.98 (10) and 88.47 (11)°, respectively. One of the mol-ecules features an intra-molecular C-H⋯O hydrogen bond, which forms an S(6) ring motif. In the crystal, mol-ecules are linked by N-H⋯O hydrogen bonds into [100] chains. The chains are further linked by C-H⋯O and C-H⋯Cl hydrogen bonds into a three-dimensional network.

| S-EPMC3435685 | biostudies-literature

N-(3,4-Difluoro-phen-yl)-2,2-diphenyl-acetamide.

Project description:In the title compound, C(20)H(15)F(2)NO, the mean plane of the acetamide group makes dihedral angles of 88.26 (6), 78.30 (7) and 9.83 (6)° with the two terminal benzene rings and difluoro-substituted benzene ring, respectively. One F atom is disordered over two orientations rotated by 180°, with a site-occupancy ratio of 0.557 (2):0.443 (2). An intra-molecular C-H⋯O hydrogen bond generates an S(6) ring motif. In the crystal, mol-ecules are linked via N-H⋯O hydrogen bonds into chains along the c axis. The crystal structure is further consolidated by C-H⋯π inter-actions.

| S-EPMC3344483 | biostudies-literature

N-(2,4-Dimethyl-phen-yl)-2,2-diphenyl-acetamide.

Project description:The asymmetric unit of the title compound, C(22)H(21)NO, consists of two crystallographically independent mol-ecules (A and B). Each mol-ecule contains two benzene rings and one dimethyl-benzene ring. The dihedral angle between the two benzene rings is 87.75 (16)° in mol-ecule A and 89.25 (16)° in mol-ecule B. In mol-ecule A, the dimethyl-benzene ring forms dihedral angles of 89.65 (8) and 42.98 (11)° with the two benzene rings, whereas the corresponding angles are equal to 63.15 (7) and 58.67 (10)° in mol-ecule B. An intra-molecular C-H⋯O hydrogen bond generates an S(6) ring motif in each mol-ecule. In the crystal, mol-ecules are linked by bifurcated (N,C)-H⋯O hydrogen bonds, generating R(2) (1)(6) ring motifs and forming infinite chains along the a axis. The crystal is further stabilized by C-H⋯π and π-π inter-actions with centroid-centroid distances of 3.8543 (18) and 3.930 (2) Å.

| S-EPMC3344457 | biostudies-literature

N-(2,6-Dimethyl-phen-yl)-2,2-diphenyl-acetamide.

Project description:In the title compound, C(22)H(21)NO, the dihedral angle between the phenyl rings is 82.59 (7)°. The dimethyl-benzene ring forms dihedral angles of 52.86 (4) and 49.65 (5)° with the two phenyl rings. In the crystal, mol-ecules are linked by N-H⋯O hydrogen bonds, forming a C(4) chain along the c axis. The crystal also features C-H⋯π inter-actions.

| S-EPMC3344437 | biostudies-literature

2,2-Diphenyl-N-{[2-(tri-fluoro-meth-yl)phen-yl]carbamo-thio-yl}acetamide.

Project description:The title mol-ecule, C22H17F3N2OS, adopts a trans-cis conformation with respect to the positions of the carbonyl and tri-fluoro-methyl-benzene groups against the thio-carbonyl group across the C-N bonds. The mol-ecular structure is stabilized by an intra-molecular N-H⋯O hydrogen bond with an S(6) ring motif. The tri-fluoro-methyl-substituted benzene ring forms dihedral angles of 66.05 (9) and 47.19 (9)° with the terminal phenyl rings and is twisted from the O=C-N-(C=S)-N carbonyl-thio-urea plane [maximum deviation = 0.0535 (12) Å], making a dihedral angle of 63.59 (8)°. In the crystal, N-H⋯O and C-H⋯F hydrogen bonds link the mol-ecules into a layer parallel to the bc plane. A C-H⋯π inter-action is also observed.

| S-EPMC3793754 | biostudies-literature

2-(4-Chloro-phen-yl)acetamide.

Project description:In the title compound, C(8)H(8)ClNO, the acetamide group is twisted out the benzene plane with a dihedral angle of 83.08 (1)°. In the crystal, mol-ecules are linked by N-H⋯O hydrogen bonds, forming layers parallel to the ab plane.

| S-EPMC3238921 | biostudies-literature

N-(3-Chloro-phen-yl)acetamide.

Project description:The conformation of the N-H bond in the structure of the title compound (3CPA), C(8)H(8)ClNO, is anti to the meta-chloro substituent, in contrast to the syn conformation observed for the ortho-chloro substituent in N-(2-chloro-phen-yl)acetamide, syn to both the ortho and meta chloro substituents in N-(2,3-dichloro-phen-yl)acetamide, and syn to the ortho chloro substituent in N-(2,4-dichloro-phen-yl)acetamide. There are two mol-ecules, linked by an N-H⋯O hydrogen bond, in the asymmetric unit of 3CPA. The bond parameters in 3CPA are similar to those of other acetanilides and the mol-ecules are packed into chains through inter-molecular N-H⋯O hydrogen bonds.

| S-EPMC2960357 | biostudies-literature

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

Project description:The N-H bond in the title compound, C(8)H(7)Cl(2)NO, is anti to the meta-chloro substituent in the aromatic ring in both independent mol-ecules comprising the asymmetric unit. The C=O bond is anti to the N-H bond and is also anti to the methyl-ene H atoms. Inter-molecular N-H⋯O hydrogen bonds link the mol-ecules into supra-molecular chains.

| S-EPMC2977650 | biostudies-literature

N-[(4-Chloro-phen-yl)sulfon-yl]acetamide.

Project description:The asymmetric unit of the title compound, C(8)H(8)ClNO(3)S, consists of two crystallographically independent mol-ecules (A and B). The dihedral angles between the benzene ring and amide C-C(=O)-NH- plane are 87.6 (3) (mol-ecule A) and 86.0 (3)° (mol-ecule B). In the crystal, the independent mol-ecules are alternately linked by N-H⋯O hydrogen bonds into an infinite chain along the b axis. Short inter-molecular Cl⋯Cl contacts [3.2882 (5) and 3.2812 (5) Å] are also observed.

| S-EPMC3435654 | 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