Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

5-Chloro-methyl-1,3-dimethyl-1H-pyrazole.

ABSTRACT: The pyazole ring in the title compound, C(6)H(9)ClN(2), is almost planar (r.m.s. deviation = 0.003?Å). In the crystal, mol-ecules are linked by C-H?N inter-actions, forming [100] chains.

SUBMITTER: Yang G

PROVIDER: S-EPMC3009082 | biostudies-other | 2010

REPOSITORIES: biostudies-other

ACCESS DATA

Json Xml

Publications

5-Chloro-methyl-1,3-dimethyl-1H-pyrazole.

Yang Guiqiu G Xu Hongcai H Yang Huibin H Yu Haibo H

Acta crystallographica. Section E, Structure reports online 20101031 Pt 11

The pyazole ring in the title compound, C(6)H(9)ClN(2), is almost planar (r.m.s. deviation = 0.003 Å). In the crystal, mol-ecules are linked by C-H⋯N inter-actions, forming [100] chains. ...[more]

PMID: 21589166

Similar Datasets

5-Chloro-1,3-dimethyl-1H-pyrazole-4-carbaldehyde.

Project description:In the title compound, C(6)H(7)ClN(2)O, the mol-ecules are situated on mirror planes, so H atoms of two methyl groups were treated as rotationally disordered over two orientations each. The crystal packing exhibits weak inter-molecular C-H?O inter-actions and short Cl?N contacts of 3.046?(2)?Å.

| S-EPMC3247348 | biostudies-literature

5-(2-Chloro-phen-oxy)-1,3-dimethyl-1H-pyrazole-4-carbaldehyde oxime.

Project description:In the title mol-ecule, C(12)H(12)ClN(3)O(2), the benzene and pyrazole rings are inclined to each other at a dihedral angle of 83.3 (3)°. In the crystal, mol-ecules are linked into [010] chains via O-H⋯N hydrogen bonds with the unsubstituted pyrazole N atom acting as the acceptor.

| S-EPMC3393940 | biostudies-literature

1,3-Dimethyl-5-(3-methyl-phen-oxy)-1H-pyrazole-4-carbaldehyde.

Project description:There are two independent mol-ecules in the asymmetric unit of the title compound, C(13)H(14)N(2)O(2), in which the dihedral angles between the substituted phenyl ring and the pyrazole ring are 86.5 (2) and 82.3 (3)°. The crystal packing features weak inter-molecular C-H⋯O inter-actions.

| S-EPMC3239131 | biostudies-literature

Dimethyl 1-cyano-methyl-1H-pyrazole-3,5-dicarboxyl-ate.

Project description:The title mol-ecule, C(9)H(9)N(3)O(4), syhthesized from 1H-pyrazole-3,5-dicarboxylic acid and 2-bromo-acetonitrile, is approximately planar; the inter-planar angles between the pyrazole ring and the mean planes of the two carboxylate units and the cyanomethyl unit are 4.49?(10), 5.56?(9) and 5.03?(19)°, respectively. In the crystal, inversion dimers linked by pairs of weak C-H ?O bonds occur, and the packing is further stabilized by aromatic ?-? stacking [centroid-centroid separation = 3.793?(4)?Å].

| S-EPMC2969226 | biostudies-literature

5-(2,4-Dichloro-phen-oxy)-1,3-dimethyl-1H-pyrazole-4-carbaldehyde.

Project description:In the title mol-ecule, C(12)H(10)Cl(2)N(2)O(2), the benzene and pyrazole rings form a dihedral angle of 72.8 (3)°. In the crystal, weak inter-molecular C-H⋯O hydrogen bonds link the mol-ecules into chains along [01[Formula: see text]].

| S-EPMC3238861 | biostudies-literature

N'-Benzoyl-5-methyl-1,3-diphenyl-1H-pyrazole-4-carbohydrazide.

Project description:In the title compound, C24H20N4O2, the pyrazole ring makes dihedral angles of 47.57?(10)° and 30.56?(11)° with its N-bound and C-bound phenyl groups, respectively. The C-N-N-C group that links the two carbonyls has a torsion angle of 81.5?(2)°. The torsion angles between the carbonyl groups and their adjacent pyrazole and phenyl rings are 125.89?(19) and 164.22?(17)°, respectively. In the crystal, pairs of mol-ecules are linked by N-H?O hydrogen bonds into R 2 (2)(10) ring motifs, which in turn link to form chains that propagate parallel to the c-axis direction.

| S-EPMC3885042 | biostudies-literature

5-(3-Chloro-phen-ylsulfan-yl)-1-methyl-3-trifluoro-methyl-1H-pyrazole-4-carbaldehyde O-[(2-chloro-1,3-thia-zol-5-yl)meth-yl]oxime.

Project description:In the title compound, C(16)H(11)Cl(2)F(3)N(4)OS(2), the benzene ring and the thia-zole ring make dihedral angles of 83.2?(3) and 78.3?(3)°, respectively, with the pyrazole ring. The crystal packing shows S?N contacts of 3.309?(2)?Å.

| S-EPMC3254498 | biostudies-literature

(E)-2-[(4-Chloro-1,3-dimethyl-1H-pyrazol-5-yl)methyl-eneamino]benzamide.

Project description:In the title compound, C(13)H(13)ClN(4)O, the dihedral angle between the aromatic rings is 33.47?(9)° and an intra-molecular N-H?N hydrogen bond generates an S(6) ring. In the crystal, inversion dimers linked by pairs of N-H?O hydrogen bonds occur, resulting in R(2) (2)(8) loops.

| S-EPMC2971773 | biostudies-other

(E)-3-Methyl-5-(4-methyl-phen-oxy)-1-phenyl-1H-pyrazole-4-carbaldehyde O-[(2-chloro-1,3-thia-zol-5-yl)meth-yl]oxime.

Project description:In the title compound, C(22)H(19)ClN(4)O(2)S, the planes of the benzene ring, the substituted phenyl ring and the thia-zole ring make dihedral angles of 18.4 (3), 88.9 (2) and 63.0 (3)°, respectively, with the pyrazole ring.

| S-EPMC3052122 | biostudies-literature

5-(4-Chloro-phen-oxy)-3-methyl-1-phenyl-1H-pyrazole-4-carbaldehyde.

Project description:In the title compound, C17H13ClN2O2, the phenyl and chloro-benzene rings are inclined to the central pyrazole ring at 40.84?(9) and 65.30?(9)°, respectively. In the crystal, pairs of C-H?? inter-actions link the mol-ecules into inversion dimers and C-H?O hydrogen bonds link these dimers into columns extended in [010]. The crystal packing exhibits short inter-molecular O?Cl contacts of 3.0913?(16)?Å.

| S-EPMC4011310 | 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