Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

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

ABSTRACT: 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⋯π inter-actions and π-π stacking inter-actions [centroid-centroid distance = is 4.760 (2) Å].

SUBMITTER: Xu YJ

PROVIDER: S-EPMC2969821 | biostudies-literature | 2009 May

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

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

Xu Yong-Ji YJ Jing Fei F

Acta crystallographica. Section E, Structure reports online 20090507 Pt 6

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⋯π inter-actions and π-π stacking inter-actions [centroid-centroid distance = is 4.760 (2) Å]. ...[more]

PMID: 21583080

Similar Datasets

2-Chloro-1-[4-(2,4-difluoro-benz-yl)piperazin-1-yl]ethanone.

Project description:In the title mol-ecule, C(13)H(15)ClF(2)N(2)O, the piperazine ring is in a chair conformation with the 2,4-difluoro-benzyl and chloro-acetyl substituents in equatorial positions.

| S-EPMC3254425 | biostudies-literature

2-Chloro-1-[4-(2-fluoro-benz-yl)piperazin-1-yl]ethanone.

Project description:In the title compound, C(13)H(16)ClFN(2)O, the piperazine ring is flanked by 1-(2-fluoro-benz-yl)piperazine and adopts a chair conformation. The dihedral angle between the fluoro-phenyl ring and the four planar C atoms (r.m.s. = 0.0055?Å) of the piperazine chair is 78.27?(7)°, whereas the dihedral angle between the four planar C atoms of the piperazine chair and the ethanone plane is 55.21?(9)?Å; the Cl atom displaced by1.589?(2)?Å out of the plane.

| S-EPMC3052134 | 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

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

1-(4-Chloro-phen-yl)-2-[(3-phenyl-isoquinolin-1-yl)sulfan-yl]ethanone.

Project description:The title compound, C(23)H(16)ClNOS, exhibits dihedral angles of 11.73 (1) and 66.07 (1)°, respectively, between the mean plane of the isoquinoline system and the attached phenyl ring, and between the isoquinoline system and the chloro-phenyl ring. The dihedral angle between the phenyl and chlorophenyl rings is 54.66 (1)°.

| S-EPMC2968208 | 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⋯π 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-(4-Chloro-3-fluoro-phen-yl)-2-[(3-phenyl-isoquinolin-1-yl)sulfan-yl]ethanone.

Project description:In the title compound, C(23)H(15)ClFNOS, the isoquinoline system and the 4-chloro-3-fluoro-phenyl ring are aligned at 80.4 (1)°. The dihedral angle between the isoquinoline system and the pendant (unsubstituted) phenyl ring is 19.91 (1)°.

| S-EPMC2968360 | biostudies-literature

1-[2-(4-Chloro-phen-yl)-5-phenyl-2,3-dihydro-1,3,4-oxadiazol-3-yl]ethanone.

Project description:In the title compound, C(16)H(14)ClN(3)O(2), the 2,3-dihydro-1,3,4-oxadiazole ring [maximum deviation = 0.030 (1) Å] and the pyridine ring [maximum deviation = 0.012 (1) Å] are inclined slightly to one another, making a dihedral angle of 11.91 (5)°. The chloro-substituted phenyl ring is almost perpendicular to the 2,3-dihydro-1,3,4-oxadiazole and pyridine rings at dihedral angles of 86.86 (5) and 75.26 (5)°, respectively. In the crystal, π-π [centroid-centroid distance = 3.7311 (6) Å] and C-H⋯π inter-actions are observed.

| S-EPMC3379458 | 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⋯π inter-action and a π-π 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