Browse
Submit Data
Databases
API
Help

Dataset Information

26 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

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

ABSTRACT: 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?? inter-actions.

SUBMITTER: Fun HK

PROVIDER: S-EPMC3344483 | biostudies-literature | 2012 May

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

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

Fun Hoong-Kun HK Ooi Chin Wei CW Nayak Prakash S PS Narayana B B Sarojini B K BK

Acta crystallographica. Section E, Structure reports online 20120413 Pt 5

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 ...[more]

PMID: 22590245

Similar Datasets

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?? inter-actions.

| S-EPMC3344437 | 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-(4-Chloro-phen-yl)-2,2-diphenyl-acetamide.

Project description: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.

| S-EPMC3414999 | biostudies-literature

2,2-Dichloro-N-(3,4-dimethyl-phen-yl)acetamide.

Project description:In the title compound, C(10)H(11)Cl(2)NO, the N-H bond is syn to the 3-methyl substituent in the aromatic ring, similar to that observed in N-(3,4-dimethyl-phen-yl)acetamide and to the 3-chloro substituent in 2,2-dichloro-N-(3,4-dichloro-phen-yl)acetamide, and contrasting with the anti conformation observed for the 3-methyl substituent in 2,2,2-trichloro-N-(3,4-dimethyl-phen-yl)acetamide. On the other hand, it is anti to the C=O bond. An inter-molecular N-H?O hydrogen bond links mol-ecules into infinite chains along the b axis.

| S-EPMC2969347 | biostudies-literature

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

Project description:In the title amide, C(16)H(15)F(2)NO(3), the dihedral angle between the benzene rings is 53.7?(1)°. Mol-ecules are linked in the crystal structure by an inter-molecular N-H?O hydrogen bond involving N-H and C=O functionalities of the amide group. A one-dimensional network is thus formed along the [001] direction. No significant inter-chain contacts are observed.

| S-EPMC2960874 | biostudies-other

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?? inter-action is also observed.

| S-EPMC3793754 | 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?? and ?-? inter-actions with centroid-centroid distances of 3.8543?(18) and 3.930?(2)?Å.

| S-EPMC3344457 | biostudies-other

N-(3,4-Difluoro-phen-yl)phthalimide.

Project description:In the title compound, C(14)H(7)F(2)NO(2), the phthalimide ring system is nearly planar [maximum atomic deviation = 0.028?(1)?Å] and it is twisted with respect to the attached benzene ring, making a dihedral angle of 55.70?(6)°. Weak inter-molecular C-H?F hydrogen bonds are present in the crystal structure.

| S-EPMC3006687 | biostudies-literature

N-(3,4-Diethoxy-phen-yl)acetamide.

Project description:In the title compound, C(12)H(17)NO(3), the conformations of the N-H and C=O bonds are anti to each other. In the crystal structure, N-H?O hydrogen-bond inter-actions help to establish the packing.

| S-EPMC2969794 | biostudies-literature

N-(3,4-Dimethyl-phen-yl)acetamide.

Project description:The conformation of the N-H bond in the title compound (34DMPA), C(10)H(13)NO, is syn to the 3-methyl substituent in the aromatic ring, in contrast to the anti conformation observed with respect to the 3-chloro substituent in N-(3,4-dichloro-phen-yl)acetamide (34DCPA). The asymmetric unit of the structure contains three mol-ecules. The bond parameters in 34DMPA are similar to those in 34DCPA, N-(2,6-dimethyl-phen-yl)acetamide, N-(3,5-dimethyl-phen-yl)acetamide and other acetanilides. The mol-ecules in 34DMPA are linked into infinite chains through N-H⋯O hydrogen bonding.

| S-EPMC2914973 | 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