Browse
Submit Data
Databases
API
Help

Dataset Information

27 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

3-(3,5-Dimethyl-1H-pyrazol-1-yl)propanamide.

ABSTRACT: In the crystal of the title compound, C(8)H(13)N(3)O, mol-ecules are linked by inter-molecular N-H?N and N-H?O hydrogen bonds into a three-dimensional network. Additional stabilization is provided by weak inter-molecular C-H?O hydrogen bonds.

SUBMITTER: Zhang JF

PROVIDER: S-EPMC2970388 | biostudies-literature | 2009 Sep

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

3-(3,5-Dimethyl-1H-pyrazol-1-yl)propanamide.

Zhang Jian-Feng JF Zhang Jian-Feng JF Huang Feng F Chen Shu-Jiao SJ

Acta crystallographica. Section E, Structure reports online 20090912 Pt 10

In the crystal of the title compound, C(8)H(13)N(3)O, mol-ecules are linked by inter-molecular N-H⋯N and N-H⋯O hydrogen bonds into a three-dimensional network. Additional stabilization is provided by weak inter-molecular C-H⋯O hydrogen bonds. ...[more]

PMID: 21577897

Similar Datasets

Bis{4-[(3,5-dimethyl-1H-pyrazol-4-yl)selan-yl]-3,5-dimethyl-1H-pyrazol-2-ium} chloride monohydrate.

Project description:In the title compound, 2C(10)H(15)N(4)Se(+)·Cl(-)·OH(-), a singly protonated mol-ecule of the organic selenide participates in hydrogen bonding with neighboring mol-ecules, forming zigzag chains along [001]. The molecule adapts a cis bridging mode with a C-Se-C angle of 102.13 (15)°. π-π stacking inter-actions are observed between the closest pyrazole rings of neighboring chains [centroid-centroid distance = 3.888 (1) Å] and hydrogen bonding occurs through bridging chloride anions and hydroxide groups. Additionally, O-H⋯Cl hydrogen bonds are formed.

| S-EPMC3393332 | biostudies-literature

Dichlorido(3,5-dimethyl-1H-pyrazole)[(3,5-dimethyl-1H-pyrazol-1-yl)(o-tol-yl)methanone]palladium(II).

Project description:In the title compound, [PdCl(2)(C(5)H(8)N(2))(C(12)H(12)N(2)O)], the Pd atom adopts a slightly distorted trans-PdCl(2)N(2) square-planar arrangement. The different Pd-N bond lengths can be related to the the electron-withdrawing effect of the o-toluoyl group on the substituted pyrazole ligand. The complex crystallizes as centrosymmetric hydrogen-bonded dimers through N-H⋯Cl linkages.

| S-EPMC2915136 | biostudies-literature

1-(3,5-Dimethyl-1H-pyrazol-1-yl)-3-phenyl-isoquinoline.

Project description:The mol-ecular conformation of the title compound, C(20)H(17)N(3), is stabilized by an intramolecular C-H?N inter-action. The crystal structure shows inter-molecular C-H?? inter-actions. The dihedral angle between the isoquinoline unit and the phenyl ring is 11.42?(1)° whereas the isoquinoline unit and the pendent dimethyl pryrazole unit form a dihedral angle of 50.1?(4)°. Furthermore, the angle between the mean plane of the phenyl ring and the dimethyl pyrazole unit is 47.3?(6)°.

| S-EPMC2977163 | biostudies-literature

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

(3,6-Dichloro-pyridin-2-yl)(3,5-dimethyl-1H-pyrazol-1-yl)methanone.

Project description:In the crystal structure of the title compound, C(11)H(9)Cl(2)N(3)O, mol-ecules are held together by short inter-molecular Cl?Cl contacts [3.319?(1)?Å] and C-H?N hydrogen bonds, forming two-dimensional networks parallel to (01).

| S-EPMC2961666 | biostudies-literature

Bis[6-(3,5-dimethyl-1H-pyrazol-1-yl)picolinato]nickel(II)-aqua-[6-(3,5-dimethyl-1H-pyrazol-1-yl)picolinic acid]dithio-cyanato-nickel(II) (1/1).

Project description:In the title cocrystal, [Ni(C(11)H(10)N(3)O(2))(2)]·[Ni(NCS)(2)(C(11)H(11)N(3)O(2))(H(2)O)], both Ni(II) ions are in disorted octa-hedral coordination environments. One Ni(II) ion is coordinated by four N atoms and two O atoms from two tridentate 6-(3,5-dimethyl-1H-pyrazol-1-yl)picolinate (DPP) ligands, while the other Ni(II) ion is coordinated by a tridentate 6-((3,5-dimethyl-1H-pyrazol-1-yl))picolinic acid (DPPH) ligand and by two N atoms and one O atom from two thio-cyanate and one water ligand, respectively. In the crystal structure, mol-ecules are linked by inter-molecular O-H⋯O and O-H⋯S hydrogen bonds, forming extended chains along [010].

| S-EPMC2914961 | biostudies-literature

(3,5-Dimethyl-pyrazol-1-yl)[5-(3,5-dimethyl-pyrazol-1-ylcarbon-yl)-2-thien-yl]methanone.

Project description:The title compound, C(16)H(16)N(4)O(2)S, crystallizes with two symmetry-independent half-mol-ecules in the asymmetric unit. All non-H atoms in each molecule lie in a crystallographic mirror plane. The mol-ecules form sheets in the ac plane, which then form stacks along the b axis. The sheets are connected via π-π stacking inter-actions [centroid-centroid distance between pyrazolato rings = 3.6949 (8) Å].

| S-EPMC2970996 | biostudies-literature

Bis[bis-(3,5-dimethyl-1H-pyrazol-1-yl)-borato]cobalt(II).

Project description:The asymmetric unit of the title compound, [Co(C(10)H(16)BN(4))(2)], comprises one unit of the complex. The geometry around the Co(II) ion is a distorted tetra-hedron. The dihedral angles between the pyrazole rings in the two ligands are 47.19 (15) and 47.20 (16)°, while that between the coordination planes is 79.77 (7)°.

| S-EPMC3151970 | biostudies-literature

(3,5-Dimethyl-1H-pyrazol-1-yl){3-[(3,5-dimethyl-1H-pyrazol-1-yl)carbon-yl]-5-methyl-indolizin-1-yl}methanone.

Project description:There are two independent mol-ecules in the asymmetric unit of the title compound, C21H21N5O2. In each mol-ecule, the indolizine ring system is essentially planar, with r.m.s. deviations of 0.030 and 0.028?Å. The dihedral angles between the indolizine ring system and the pyrazole rings are 54.7?(3) and 8.6?(3)° in one mol-ecule and 54.4?(3) and 6.6?(3)° in the other. In the crystal, weak C-H?O and C-H?N hydrogen bonds link mol-ecules, forming a two-dimensional network parallel to (100).

| S-EPMC3588476 | biostudies-other

Bis[6-(3,5-dimethyl-1H-pyrazol-1-yl)picolinato]manganese(II) trihydrate.

Project description:In the title complex, [Mn(C(11)H(10)N(3)O(2))(2)]·3H(2)O, the Mn(II) atom is coordinated by four N atoms and two O atoms in a distorted octa-hedral geometry. The mol-ecules are linked together via hydrogen bonds involving the water molecules. One of these is disordered equally over two positions.

| S-EPMC2914962 | 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