Browse
Submit Data
Databases
API
Help

Dataset Information

15 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

3-Chloro-6-(1H-pyrazol-1-yl)pyridazine.

ABSTRACT: The title compound, C(7)H(5)ClN(4), is almost planar (r.m.s. deviation = 0.022?Å). The dihedral angle between the aromatic rings is 2.82?(5)°. The packing results in polymeric chains extending along the a axis. In the crystal, mol-ecules are connected to each other through inter-molecular C-H?N hydrogen bonds, resulting in R(2) (2)(10) ring motifs.

SUBMITTER: Ather AQ

PROVIDER: S-EPMC3007276 | biostudies-literature | 2010 Jul

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

3-Chloro-6-(1H-pyrazol-1-yl)pyridazine.

Ather Abdul Qayyum AQ Tahir M Nawaz MN Khan Misbahul Ain MA Athar Muhammad Makshoof MM Bueno Eliana Aparecidasilicz EA

Acta crystallographica. Section E, Structure reports online 20100714 Pt 8

The title compound, C(7)H(5)ClN(4), is almost planar (r.m.s. deviation = 0.022 Å). The dihedral angle between the aromatic rings is 2.82 (5)°. The packing results in polymeric chains extending along the a axis. In the crystal, mol-ecules are connected to each other through inter-molecular C-H⋯N hydrogen bonds, resulting in R(2) (2)(10) ring motifs. ...[more]

PMID: 21588327

Similar Datasets

3-Chloro-6-(3,5-dimethyl-1H-pyrazol-1-yl)pyridazine.

Project description:In the title compound, C(9)H(9)ClN(4), the dihedral angle between the aromatic rings is 6.25?(9)°. The whole mol-ecule is approximately planar (r.m.s. deviation = 0.070?Å). In the crystal, ?-? inter-actions between the centroids of the pyridazine rings [separation = 3.5904?(10)?Å] occur.

| S-EPMC2983344 | biostudies-literature

3-(Piperidin-1-yl)-6-(1H-pyrazol-1-yl)pyridazine.

Project description:In the title compound, C(12)H(15)N(5), the piperidine ring adopts a chair conformation with the substituent C atom in an equatorial site and the dihedral angle between the pyridazine and pyrazole ring planes is 10.36?(2)°.

| S-EPMC2979512 | biostudies-literature

1-(4-Chloro-phen-yl)-1H-pyrazol-3-ol.

Project description:In the title compound, C(9)H(7)ClN(2)O, the dihedral angle between the aromatic ring planes is 11.0?(2)°. In the crystal, inversion dimers linked by pairs of O-H?N hydrogen bonds generate R(2) (2)(8) loops.

| S-EPMC2980223 | biostudies-literature

2-Chloro-N-[1-(4-chloro-phen-yl)-3-cyano-1H-pyrazol-5-yl]acetamide.

Project description:The title compound, C(12)H(8)Cl(2)N(4)O, was synthesized by the reaction of 5-amino-1-(4-chloro-phen-yl)-1H-pyrazole-3-carbonitrile and 2-chloro-acetyl chloride. The dihedral angle between the pyrazole and benzene rings is 30.7?(3)°. In the crystal structure, strong N-H?O hydrogen bonds link the mol-ecules into chains along [001]. C-H?N hydrogen bonds are also present.

| S-EPMC3515326 | biostudies-literature

4-(4-Chloro-benzo-yl)-3-methyl-1-phenyl-1H-pyrazol-5-yl 4-chloro-benzoate.

Project description:In the title compound, C(24)H(16)Cl(2)N(2)O(3), the three benzene rings are twisted with respect to the central pyrazole ring, making dihedral angles of 71.56?(9) (4-chloro-benzo-yloxy), 57.55?(8) (4-chloro-benzo-yl) and 39.33?(1)° (phen-yl).

| S-EPMC3239043 | biostudies-literature

(E)-3-(4-Chloro-phen-yl)-3-[3-(4-chloro-phen-yl)-1H-pyrazol-1-yl]prop-2-enal.

Project description:In the title compound, C(18)H(12)Cl(2)N(2)O, the pyrazole ring is almost planar [r.m.s. deviation = 0.002?Å] while the two chloro-phenyl rings are twisted out from the plane of the pyrazole ring, making dihedral angles of 5.3?(1) and 65.34?(4)°. In the crystal, centrosymmetric R(2) (2)(24) dimers are formed about crystallographic inversion centres through a pair of C-H?Cl inter-actions. These dimers are further linked through a C-H?O hydrogen bond, forming a C(8) chain extending along the a axis. C-H?? inter-actions are also observed.

| S-EPMC2983380 | biostudies-literature

1-[3,5-Bis(4-chloro-phen-yl)-4,5-dihydro-1H-pyrazol-1-yl]ethanone.

Project description:In the title compound, C(17)H(14)Cl(2)N(2)O, the dihedral angles between the pyrazole ring and the mean planes of the benzene and chloro-substituted benzene rings are 75.97?(1) and 16.63?(1)° respectively. In the crystal, two weak C-H?O inter-molecular hydrogen bonds and ?-? stacking inter-actions [centroid-centroid distances = 3.774?(4) and 3.716?(7)?Å] are observed.

| S-EPMC3007262 | biostudies-literature

Diethyl [(2-chloro-anilino)(1,3-diphenyl-1H-pyrazol-4-yl)meth-yl]phospho-nate.

Project description:In the title compound, C(26)H(27)ClN(3)O(3)P, the mean plane of the central pyrazole ring forms a dihedral angle of 71.37?(14)° with the chloro-phenyl ring. In the crystal, mol-ecules are linked by pairs of N-H?O hydrogen bonds, forming inversion dimers with R(2) (2)(10) ring motifs. The 3-phenyl ring is disordered with four C atoms occupying two sets of sites with an occupancy ratio of 0.748?(4):0.252?(4).

| S-EPMC3569244 | biostudies-literature

1-(4-Chloro-phen-yl)-3-phenyl-1H-pyrazol-5(4H)-one.

Project description:In the crystal of the title compound, C(15)H(11)ClN(2)O, the molecules are linked by C-H?O and weak C-H?? inter-actions. The chloro-phenyl and phenyl rings are twisted with respect to the central pyrazolone ring, making dihedral angles of 18.23?(8) and 8.35?(8)°, respectively. The N-N and C=O bond lengths are comparable to those reported for pyrazolone compounds.

| S-EPMC2983571 | biostudies-literature

Ethyl 2-{[5-(3-chloro-phen-yl)-1-phenyl-1H-pyrazol-3-yl]-oxy}acetate.

Project description:The title compound, C(19)H(17)ClN(2)O(3), was synthesized by the reaction of 5-(3-chloro-phen-yl)-1-phenyl-1H-pyrazol-3-ol and ethyl 2-bromo-acetate. In the crystal, the C- and N-linked benzene rings are twisted by 45.15?(3) and 53.55?(3)°, respectively, from the plane of the bridging 1H-pyrazole ring.

| S-EPMC3254470 | 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