Browse
Submit Data
Databases
API
Help

Dataset Information

26 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

Ethyl 5-(ethoxy-carbon-yl)-3-(4-methoxy-phen-yl)-1H-pyrazole-1-acetate.

ABSTRACT: In the title compound, C(17)H(20)N(2)O(5), all bond lengths and angles show normal values. The dihedral angle between the pyrazole ring and the benzene ring is 6.98?(11)°. The mol-ecules are linked by inter-molecular C-H?? inter-actions.

SUBMITTER: Dong WL

PROVIDER: S-EPMC2915022 | biostudies-literature | 2007 Dec

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

Ethyl 5-(ethoxy-carbon-yl)-3-(4-methoxy-phen-yl)-1H-pyrazole-1-acetate.

Dong Wen-Liang WL Ge Yan-Qing YQ Zhao Bao-Xiang BX

Acta crystallographica. Section E, Structure reports online 20071206 Pt 1

In the title compound, C(17)H(20)N(2)O(5), all bond lengths and angles show normal values. The dihedral angle between the pyrazole ring and the benzene ring is 6.98 (11)°. The mol-ecules are linked by inter-molecular C-H⋯π inter-actions. ...[more]

PMID: 21200941

Similar Datasets

3-(2-Hydroxy-phen-yl)-5-(2-methoxy-phenyl)-1H-pyrazole.

Project description:The title compound, C(16)H(14)N(2)O(2), was derived from 1-(2-hydroxy-phen-yl)-3-(2-methoxy-phen-yl)propane-1,3-dione. The mol-ecule is essentially planar (r.m.s. deviation for all non-H atoms = 0.089?Å). Two intra-molecular hydrogen bonds stabilize the mol-ecular conformation and one N-H?O hydrogen bond stabilizes the crystal structure.

| S-EPMC2960634 | biostudies-literature

Methyl 3-[3-(ethoxy-carbon-yl)thio-ureido]-1H-pyrazole-5-carboxyl-ate.

Project description:The title compound, C(9)H(12)N(4)O(4)S, was proven to be the product of the reaction of methyl 5-amino-1H-pyrazole-3-carboxyl-ate with ethyl isothio-cyanato-carbonate. All non-H atoms of the mol-ecule are planar, the mean deviation from the least squares plane being 0.048?Å. The intra-molecular N-H?O bond involving the NH-group, which links the thio-urea and pyrazole fragments, closes a six-membered pseudo-heterocyclic ring, and two more hydrogen bonds (N-H?O with the participation of the pyrazole NH group and N-H?S involving the second thio-urea NH group) link the mol-ecules into infinite chains running along [10].

| S-EPMC2969634 | 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

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-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-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

1-(4-Ethoxy-benzo-yl)-4-(4-methoxy-phen-yl)thiosemicarbazide.

Project description:The title compound, C(17)H(19)N(3)O(3)S, crystallizes with two closely similar independent mol-ecules related by a pseudotranslation of c/2. Each mol-ecule consists of three approximately planar moieties centred on the N(2)CS group and the two ring systems. The packing involves classical H bonds of the form N(amide)-H⋯S and N(hydrazine)-H⋯OC, together with various weak hydrogen bonds and N(hydrazine)-H⋯π inter-actions. The overall packing is three-dimensional, but layer substructures parallel to the xz plane can be readily identified. Each mol-ecule forms a topologically equivalent set of hydrogen-bond inter-actions.

| S-EPMC2971009 | biostudies-literature

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

Project description:In the title compound, C(19)H(16)ClFN(2)O(2), the pyrazole ring makes dihedral angles of 5.15?(6) and 77.72?(6)°, with the fluoro-phenyl and chloro-phenyl rings, respectively.

| S-EPMC3120511 | biostudies-literature

2,5-Bis[2-(2-methoxy-ethoxy)phen-yl]-1,3,4-oxadiazole.

Project description:In the title compound, C(20)H(22)N(2)O(5), the central 1,3,4-oxadiazole ring is essentially planar [r.m.s. deviation from the best plane of 0.0011?Å] and makes dihedral angles of 4.10?(3) and 13.32?(4)° with the two benzene rings. In the crystal structure, the packing is stabilized by weak non-classical inter-molecular C-H?N hydrogen bonds, which link the mol-ecules into an extended network.

| S-EPMC2977367 | biostudies-literature

(E)-2-[(4-Ethoxy-phen-yl)imino-meth-yl]-4-methoxy-phenol.

Project description:In the mol-ecule of the title compound, C(16)H(17)NO(3), the aromatic rings are oriented at a dihedral angle of 29.25?(8)°. An intra-molecular O-H?N hydrogen bond results in the formation of a nearly planar [maximum deviation 0.034?(13)?Å] six-membered ring, which is oriented at dihedral angles of 0.91?(1) and 28.91?(12)° with respect to the aromatic rings. The title mol-ecule is a phenol-imine tautomer, as evidenced by C-O, C-N and C-C bond lengths. In the crystal, mol-ecules are linked by inter-molecular C-H?O hydrogen bonds that generate C(8) chains.

| S-EPMC2971308 | 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