Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

Ethyl 1-cyclo-hexyl-5-(4-meth-oxy-phen-yl)-1H-pyrazole-4-carboxyl-ate.

ABSTRACT: In the title compound, C(19)H(24)N(2)O(3), the benzene ring forms a dihedral angle of 65.34?(7)° with the pyrazole ring. The cyclo-hexane ring adopts a chair conformation. In the crystal, mol-ecules are linked into a inversion dimers by pairs of C-H?O hydrogen bonds, generating R(2) (2)(22) ring motifs.

SUBMITTER: Fun HK

PROVIDER: S-EPMC3239089 | biostudies-other | 2011 Dec

REPOSITORIES: biostudies-other

ACCESS DATA

Json Xml

Publications

Ethyl 1-cyclo-hexyl-5-(4-meth-oxy-phen-yl)-1H-pyrazole-4-carboxyl-ate.

Fun Hoong-Kun HK Quah Ching Kheng CK Chandrakantha B B Isloor A M AM Shetty Prakash P

Acta crystallographica. Section E, Structure reports online 20111130 Pt 12

In the title compound, C(19)H(24)N(2)O(3), the benzene ring forms a dihedral angle of 65.34 (7)° with the pyrazole ring. The cyclo-hexane ring adopts a chair conformation. In the crystal, mol-ecules are linked into a inversion dimers by pairs of C-H⋯O hydrogen bonds, generating R(2) (2)(22) ring motifs. ...[more]

PMID: 22199937

Similar Datasets

Ethyl 1-(2-bromo-eth-yl)-3-(4-meth-oxy-phen-yl)-1H-pyrazole-5-carboxyl-ate.

Project description:In the title compound, C(15)H(17)BrN(2)O(3), the dihedral angle between the benzene and pyrazole rings is 5.63 (2)°. The crystal packing is stabilized by weak π-π stacking inter-actions [centroid-centroid distance = 3.927 (5) Å] and inter-molecular C-H⋯O and C-H⋯Br hydrogen bonds.

| S-EPMC3414964 | biostudies-literature

1-Cyclo-hexyl-5-(4-meth-oxy-phen-yl)-1H-pyrazole-4-carb-oxy-lic acid.

Project description:In the title compound, C(17)H(20)N(2)O(3), the meth-oxy-phenyl unit is disordered over two sets of sites in a 0.715?(4):0.285?(4) ratio. The pyrazole ring forms dihedral angles of 55.88?(16) and 72.6?(4)° with the benzene rings of its major and minor components, respectively. The cyclo-hexane ring adopts a chair conformation and its C-N bond is in an equatorial orientation. In the crystal, mol-ecules are linked into inversion dimers by pairs of O-H?O hydrogen bonds, generating R(2) (2)(8) loops.

| S-EPMC3239134 | biostudies-literature

Ethyl 1-(4-meth-oxy-benz-yl)-3-p-tolyl-1H-pyrazole-5-carboxyl-ate.

Project description:In the title compound, C(21)H(22)N(2)O(3), the pyrazole ring makes dihedral angles of 12.93?(8) and 69.38?(8)°, respectively, with the tolyl and meth-oxy-benzyl rings.

| S-EPMC3089161 | biostudies-literature

Ethyl 1-[(4-acetyl-2-methoxy-phen-oxy)meth-yl]cyclo-propane-1-carboxyl-ate.

Project description:In the title compound, C(16)H(20)O(5), the dihedral angle between the planar rings, viz. benzene and cyclo-propane, is 52.1?(2)°. Mol-ecules are connected in the crystal via weak inter-molecular C-H?O hydrogen bonds, forming chains in the [001] direction.

| S-EPMC2968388 | biostudies-literature

Ethyl 1-phenyl-2-[4-(trifluoro-meth-oxy)phen-yl]-1H-benzimidazole-5-carboxyl-ate.

Project description:In the title compound, C(23)H(17)F(3)N(2)O(3), an intra-molecular C-H⋯F hydrogen bond generates an S(6) ring motif. The essentially planar 1H-benzimidazole ring system [maximum deviation = 0.021 (2) Å] forms dihedral angles of 25.00 (10) and 62.53 (11)° with the trifluoro-meth-oxy-substituted benzene and phenyl rings, respectively. The twist of the ethyl acetate group from the least-squares plane of the 1H-benzimidazole ring system is defined by a C(=O)-O-C-C torsion angle of 79.5 (3)°. In the crystal, mol-ecules are linked into a two-dimensional network parallel to the bc plane by weak C-H⋯N and C-H⋯O hydrogen bonds. Weak C-H⋯π inter-actions also observed.

| S-EPMC3435731 | biostudies-literature

Ethyl 6-(4-meth-oxy-phen-yl)-2-oxo-4-phenyl-cyclo-hex-3-ene-carboxyl-ate.

Project description:The asymmetric unit of the title compound, C(22)H(22)O(4), consists of two independent mol-ecules (A and B). The cyclo-hexene rings adopt slightly distorted sofa conformations in both mol-ecules. The dihedral angles between the benzene rings are 74.16 (13) and 71.85 (13)° in mol-ecules A and B, respectively. In the crystal, weak C-H⋯O hydrogen bonds link the mol-ecules into a ribbon-like structure along the b axis. Weak C-H⋯π inter-actions are also observed.

| S-EPMC3435819 | biostudies-literature

Ethyl 1-benzyl-3-(4-bromo-phen-yl)-1H-pyrazole-5-carboxyl-ate.

Project description:In the title compound, C(19)H(17)BrN(2)O(2), the pyrazole ring makes dihedral angles of 88.00?(16) and 5.78?(13)° with the phenyl and bromo-phenyl rings, respectively. In the crystal, mol-ecules are linked by weak inter-molecular C-H?O hydrogen bonds.

| S-EPMC3212308 | biostudies-literature

Ethyl 1-benzyl-3-(4-fluoro-phen-yl)-1H-pyrazole-5-carboxyl-ate.

Project description:In the title compound, C(19)H(17)FN(2)O(2), the pyrazole ring makes dihedral angles of 4.57?(16) and 81.19?(18)° with the fluoro-phenyl and benzene rings, respectively.

| S-EPMC3051514 | biostudies-literature

Ethyl 1-benzyl-3-(4-methyl-phen-yl)-1H-pyrazole-5-carboxyl-ate.

Project description:In the title compound, C(20)H(20)N(2)O(2), the pyrazole ring makes dihedral angles of 15.68 (4) and 83.40 (4)°, respectively, with the tolyl and benzyl rings, respectively.

| S-EPMC3051728 | biostudies-literature

Ethyl 1,5-diphenyl-1H-pyrazole-4-carboxyl-ate.

Project description:The asymmetric unit of the title compound, C(18)H(16)N(2)O(2), contains two independent mol-ecules (A and B). In mol-ecule A, the pyrazole ring is inclined at angles of 48.86 (6) and 60.80 (6)° with respect to the two phenyl rings; the corresponding angles for mol-ecule B are 46.86 (6) and 58.63 (6)°. In the crystal, mol-ecules of type A are linked into sheets parallel to (001) via weak C-H⋯O hydrogen bonds, whereas the mol-ecules of type B are linked into chains along [010] via weak C-H⋯O hydrogen bonds.

| S-EPMC3008119 | 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