Browse
Submit Data
Databases
API
Help

Dataset Information

21 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

4-(4-Chloro-phenyl-sulfan-yl)-1-[(E)-2-(4-chloro-phenyl-sulfan-yl)-1-phenyl-ethen-yl]-3-phenyl-1H-pyrazole.

ABSTRACT: In the title compound, C(29)H(20)Cl(2)N(2)S(2), the pyrazole ring adopts a planar conformation. The chlorophenyl rings are twisted from the pyrazole ring at angles of 52.74?(14) and 29.92?(13)°, respectively. The crystal structure is stabilized by C-H?N and C-H?? inter-actions.

SUBMITTER: Ramesh P

PROVIDER: S-EPMC2959571 | biostudies-literature | 2008 Oct

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

4-(4-Chloro-phenyl-sulfan-yl)-1-[(E)-2-(4-chloro-phenyl-sulfan-yl)-1-phenyl-ethen-yl]-3-phenyl-1H-pyrazole.

Ramesh P P Subbiahpandi A A Manikannan Ramaiyan R Muthusubramanian S S Ponnuswamy M N MN

Acta crystallographica. Section E, Structure reports online 20081004 Pt 11

In the title compound, C(29)H(20)Cl(2)N(2)S(2), the pyrazole ring adopts a planar conformation. The chlorophenyl rings are twisted from the pyrazole ring at angles of 52.74 (14) and 29.92 (13)°, respectively. The crystal structure is stabilized by C-H⋯N and C-H⋯π inter-actions. ...[more]

PMID: 21580921

Similar Datasets

3-(4-Chloro-phen-yl)-1-[(E)-1-(4-chloro-phen-yl)-2-(4-methyl-phenyl-sulfan-yl)ethen-yl]-4-(4-methyl-phenyl-sulfan-yl)-1H-pyrazole.

Project description:In the title compound, C(31)H(24)Cl(2)N(2)S(2), the pyrazole ring adopts planar conformation with a maximum deviation of 0.002?(2)?Å. The chloro-phenyl rings are twisted out of the plane of the pyrazole ring by 75.1?(1) and 39.5?(1)°. The crystal packing is controlled by weak intermolecular C-H?? interactions.

| S-EPMC2971206 | biostudies-literature

4-(Cyclo-hexyl-sulfan-yl)-1-[(E)-2-(cyclo-hexyl-sulfan-yl)-1-phenyl-ethen-yl]-3-phenyl-1H-pyrazole.

Project description:In the title compound, C(29)H(34)N(2)S(2), the pyrazole ring is planar and both cyclo-hexane rings adopt chair conformations. The dihedral angles between the pyrazole ring and the two benzene rings are 59.9 (2) and 19.8 (2)°. The conformation and packing of the mol-ecules in the unit cell are stabilized by a weak intra-molecular C-H⋯S and C-H⋯N interactions, in addition to van der Waals forces.

| S-EPMC2959566 | biostudies-literature

Crystal structure of 3-(4-methyl-phen-yl)-1-phenyl-5-[(E)-2-phenyl-ethen-yl]-1H-pyrazole.

Project description:In the title compound, C24H20N2, the dihedral angles between the pyrazole ring and the pendant phenyl, toluoyl and phenyl-ethenyl rings are 41.50 (8), 4.41 (8) and 31.07 (8)°, respectively. In the crystal, inversion dimers linked by a π-π stacking inter-actions between the phenyl-ethenyl rings are observed [centroid-centroid separation = 3.5857 (9) Å].

| S-EPMC4719956 | biostudies-literature

5-(4-tert-Butyl-benzyl-sulfan-yl)-3-methyl-1-phenyl-1H-pyrazole-4-carbaldehyde.

Project description:The title compound, C(22)H(24)N(2)OS, has been synthesized as a potent fungicidal agent and its crystal structure determined. In the crystal structure, weak inter-molecular C-H⋯O inter-actions are observed. The dihedral angles between the planes of the pyrazole and phenyl rings, and between the benzene and pyrazole rings are 54.2 (2) and 25.0 (3)°, respectively. The methyl groups of the tert-butyl group are disordered over two positions; the site occupancies are ca 0.65 and 0.35.

| S-EPMC2915325 | biostudies-literature

Ethyl 1-(4-chloro-benz-yl)-3-phenyl-1H-pyrazole-5-carboxyl-ate.

Project description:In the title compound, C(19)H(17)ClN(2)O(2), the pyrazole ring makes dihedral angles of 6.97 (5) and 79.25 (1)°, respectively, with the phenyl and chlorophenyl rings, respectively. In the crystal, C-H⋯O hydrogen bonds are observed.

| S-EPMC3297926 | biostudies-literature

3-(3-Chloro-2-hy-droxy-phen-yl)-1-phenyl-1H-pyrazole-4-carbaldehyde.

Project description:In the title compound, C(16)H(11)ClN(2)O(2), the pyrazole ring makes dihedral angles of 11.88?(13) and 22.33?(13)° with the 3-chloro-2-hy-droxy-benzene group and phenyl rings, respectively. The phenolic hy-droxy group forms an intra-molecular O-H?N hydrogen bond with the imine N atom of the pyrazole unit. The formyl group is virtually coplanar with the pyrazole ring [dihedral angle = 4.5?(19)°] and acts as an acceptor in an intra-molecular C-H?O hydrogen bond closing seven-membered ring. In the crystal, adjacent mol-ecules are linked through C-H?O hydrogen bonds into infinite chains along the b axis.

| S-EPMC3201353 | biostudies-literature

1-[(6-Chloro-3-pyrid-yl)meth-yl]-N-(4-ethoxy-phen-yl)-3-phenyl-1H-pyrazole-5-carboxamide.

Project description:In the title compound, C(24)H(21)ClN(4)O(2), the pyrazole ring makes dihedral angles of 7.70 (11), 89.17 (11) and 40.68 (11)° with the phenyl, pyridine and ethoxy-phenyl rings, respectively. There are some intra-molecular C-H⋯O and C-H⋯π bonds giving rigidity to the mol-ecule, while weak inter-molecular N-H⋯N and C-H⋯π hydrogen bonds link the mol-ecules into a two-dimensional structure.

| S-EPMC2968942 | biostudies-literature

3-(1,2-Diphenyl-ethen-yl)-2-phenyl-1H-indole.

Project description:In the title compound, C(28)H(21)N, the planar pyrrole ring makes dihedral angles of 1.5?(2), 42.4?(2), 65.4?(2) and 79.7?(1)°, with the least squares planes of the four phenyl rings. The mol-ecular structure and crystal packing are stabilized by weak inter- and intra-molecular C-H?? inter-actions.

| S-EPMC3009176 | biostudies-literature

2-[(1H-Benzimidazol-2-yl)sulfan-yl]-1-phenyl-ethanone.

Project description:The title compound, C(15)H(12)N(2)OS, adopts a twisted V-shape, with the S atom as the pivot. The benzimidazole ring system [maximum deviation = 0.015 (1) Å] makes a dihedral angle of 78.56 (7)° with the phenyl ring. The O atom of the ketone group is close to coplanar with its adjacent ring [O-C-C-C torsion angle = 11.0 (2)°]. In the crystal, mol-ecules are linked by N-H⋯N hydrogen bonds into an infinite chain along [001]. The crystal packing also features a C-H⋯π inter-action.

| S-EPMC3394045 | biostudies-literature

Ethyl 3-(4-chloro-phen-yl)-1-(2-oxo-2-phenyl-eth-yl)-1H-pyrazole-5-carboxyl-ate.

Project description:In the title compound, C(20)H(17)ClN(2)O(3), the dihedral angles between the pyrazole ring and the substituted and unsubstituted benzene rings are 3.64?(13) and 81.15?(17)°, respectively. Mol-ecules are connected via three pairs of weak hydrogen bonds into a centrosymmetric dimer. The crystal structure is stabilized by inter-molecular C-H?O and C-H?? inter-actions.

| S-EPMC3212303 | 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