Browse
Submit Data
Databases
API
Help

Dataset Information

19 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

2-(4-Chloro-anilino)-1-phenyl-ethanone.

ABSTRACT: In the title compound, C(14)H(12)ClNO, the planes of the two aromatic rings form a dihedral angle of 4.16?(1)°. The mol-ecule is essentially planar with an r.m.s. deviation for all non-H atoms of 0.0372?Å.

SUBMITTER: Yao XJ

PROVIDER: S-EPMC3052043 | biostudies-literature | 2011 Feb

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

2-(4-Chloro-anilino)-1-phenyl-ethanone.

Yao Xing-Jun XJ Yuan Qian Q

Acta crystallographica. Section E, Structure reports online 20110226 Pt 3

In the title compound, C(14)H(12)ClNO, the planes of the two aromatic rings form a dihedral angle of 4.16 (1)°. The mol-ecule is essentially planar with an r.m.s. deviation for all non-H atoms of 0.0372 Å. ...[more]

PMID: 21522453

Similar Datasets

2-(4-Chloro-anilino)-1-(4-chloro-phen-yl)ethanone.

Project description:In the title compound, C(14)H(11)Cl(2)NO, the benzene rings form a dihedral angle of 3.14?(6)°. Overall, the mol-ecule is close to being planar (r.m.s. deviation for all the non-H atoms = 0.054?Å). No significant directional inter-molecular inter-actions are observed in the crystal structure.

| S-EPMC3239017 | biostudies-literature

rac-3-[(3-Chloro-anilino)(4-chloro-phenyl)meth-yl]thian-4-one.

Project description:In the title compound, C(18)H(17)Cl(2)NOS, the thio-pyran-one ring adopts a chair conformation, with the substituent in the axial position. The dihedral angle between the two benzene rings is 89.43?(1)°. In the crystal, mol-ecules form inversion dimers through inter-molecular N-H?O hydrogen bonds [graph set R(2) (2)(8)].

| S-EPMC3295438 | biostudies-literature

2-[(4-Chloro-phen-yl)imino]-1,2-di-phenyl-ethanone.

Project description:The title Schiff base, C20H14ClNO, obtained from the reaction of 4-chloro aniline with benzil, has an approximate T shape. The dihedral angle between the phenyl rings of the benzil unit is 74.14 (15)°. The extended structure features C-H⋯O hydrogen bonds.

| S-EPMC9912312 | biostudies-literature

4-(2-Chloro-anilino)-3-phenyl-furan-2(5H)-one.

Project description:The title compound, C(16)H(12)ClNO(2), featuring a furan-2(5H)-one (?-butyrolactone) core, contains two mol-ecules (A and B) in the asymmetric unit, with different dihedral angles between the central ring and the pendant phenyl and chloro-benzene rings [43.33?(8) and 20.16?(8)°, respectively, for A, and 47.79?(8) and 13.87?(8)°, respectively, for B]. In the crystal, the A mol-ecules are linked into [001] chains by single C-H?O inter-actions. The B mol-ecules also form [001] chains, but their relative orientations in the chains are quite different to those of the A mol-ecules so that adjacent B mol-ecules are linked by two C-H?O hydrogen bonds. Finally, C-H?O inter-actions and aromatic ?-? stacking contacts [centroid-centroid separations = 3.754?(1) and 3.817?(1)?Å] link the chains into a two-dimensional array parallel to (010).

| S-EPMC3247478 | biostudies-literature

1-(4-Chloro-phen-yl)-2-phenyl-2-(3-phenyl-1-isoquinolylsulfan-yl)ethanone.

Project description:The title compound, C(29)H(20)ClNOS, is a 1-substituted-3-phenyl-isoquinoline that crystallizes with four independent mol-ecules in the asymmtric unit. The four mol-ecules have similar C-S-C angles. The most noteworthy differences between the mol-ecules relate to the inclination of the 3-phenyl subsituent with respect to the isoquinoline fused-ring [dihedral angles of 21.2?(1), 25.6?(2), 34.3?(1) and 36.5?(2)°].

| S-EPMC2971218 | biostudies-literature

1-(6-Chloro-2-methyl-4-phenyl-3-quinol-yl)ethanone.

Project description:In the title compound, C(18)H(14)ClNO, the quinoline ring system is approximately planar with a maximum devation of 0.022?(1)?Å and forms a dihedral angle of 62.70?(3)° with the phenyl ring. In the crystal, pairs of C-H?O inter-molecular hydrogen bonds link neighbouring mol-ecules into inversion dimers, forming R(2) (2)(14) ring motifs. These inversion dimers are stacked along the b axis. The structure is further stabilized by C-H?? inter-actions.

| S-EPMC2971397 | biostudies-literature

2-Chloro-1-(3,3-dimethyl-2,6-di-phenyl-piperidin-1-yl)ethanone.

Project description:In the title compound, C21H24ClNO, the piperidine ring adopts a chair conformation. The two phenyl rings are inclined to one another by 20.7?(1)°, and are inclined to the mean plane of the four planar atoms of the piperidine ring by 87.64?(10) and 70.8?(1)°. The mol-ecular structure features short intra-molecular C-H?Cl and C-H?O contacts. In the crystal, there are no significant inter-molecular inter-actions present.

| S-EPMC3884441 | biostudies-literature

1-Chloro-2-(4-phenyl-piperazin-1-yl)ethanone.

Project description:The title compound, C(12)H(15)ClN(2)O, is a piperazine derivative with the potential for use as a starting material for pharmaceutial and agrochemical applications. The structure is stabilized by C-H?O hydrogen bonds, C-H?? inter-actions and ?-? stacking inter-actions [centroid-centroid distance = is 4.760?(2)?Å].

| S-EPMC2969821 | biostudies-other

1-{6-Chloro-2-[(2-chloro-8-methyl-3-quinol-yl)meth-oxy]-4-phenyl-quinolin-3-yl}ethanone.

Project description:In the title mol-ecule, C(28)H(20)Cl(2)N(2)O(2), the dihedral angle between the 2-chloro-quinoline and 6-chloro-quinoline rings is 7.55?(6)°. The dihedral angle between the phenyl ring and its attached quinoline ring is 62.59?(4)°. In the crystal, aromatic ?-? stacking inter-actions [centroid-centroid distances = 3.771?(3) and 3.612?(3)?Å] help to establish the packing.

| S-EPMC3007527 | biostudies-literature

1-{6-Chloro-2-[(2-chloro-6-methyl-quinolin-3-yl)meth-oxy]-4-phenyl-quinolin-3-yl}ethanone.

Project description:In the title compound, C(28)H(20)Cl(2)N(2)O(2), the 2-chloro-quinoline and 6-chloro-quinoline ring systems are twisted slightly, making a dihedral angle of 4.05?(3)°. The dihedral angle between the 2-quinoline ring system and the phenyl ring attached to it is 74.43?(5)°. In the crystal structure, a pair of inter-molecular C-H?O hydrogen bonds connect the mol-ecules, forming centrosymmetric dimers with R(2) (2)(16) motifs. The dimers are further consolidated by a C-H?? inter-action and a ?-? stacking inter-action with a centroid-centroid distance of 3.6562?(10)?Å.

| S-EPMC3006731 | 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