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1-[(3,5-Dimethyl-1H-pyrazol-1-yl)carbon-yl]-5-methyl-indolizine-3-carbo-nitrile.

ABSTRACT: In the title mol-ecule, C16H14N4O, the indolizine ring system is essentially planar, with a maximum deviation of 0.013 (3) Å, and forms a dihedral angle of 7.52 (12)° with the pyrazole ring. In the crystal, weak C-H⋯O hydrogen bonds and π-π stacking inter-actions, with a centroid-centroid distance of 3.6378 (16) Å, link mol-ecules along [001].

SUBMITTER: Gu WJ

PROVIDER: S-EPMC3588990 | biostudies-literature |

REPOSITORIES: biostudies-literature

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(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{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

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

Project description: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.

| S-EPMC2970388 | biostudies-literature

4-{[(E)-(3,5-Dimethyl-1-phenyl-1H-pyrazol-4-yl)methyl-idene]amino}-1,5-dimethyl-2-phenyl-1H-pyrazol-3(2H)-one.

Project description:The title Schiff base compound, C(23)H(23)N(5)O, was synthesized by the reaction of 4-amino-phenazone and 3,5-dimethyl-1-phenyl-pyrazole-4-carbaxaldehyde. The mol-ecule adopts an E configuration about the central C=N double bond. A weak intra-molecular C-H?O hydrogen bond generates an S(6) ring motif. The dihedral angle between the pyrazole rings is 24.72?(10)° and the dihedral angles between the pyrazole rings and the adjacent phenyl rings are 58.67?(10) and 46.58?(11)°. The crystal structure is stabilized by weak C-H?? inter-actions involving the pyrazolone and phenyl rings.

| S-EPMC3006732 | biostudies-literature

2-[(3,5-Dimethyl-1-phenyl-1H-pyrazol-4-yl)methyl-idene]indan-1,3-dione.

Project description:In the title compound, C(21)H(16)N(2)O(2), the five-membered heterocyclic ring makes a dihedral angle of 47.06?(6)° with the attached benzene ring, whereas the indan-1,3-dione ring system and the benzene ring are oriented at a dihedral angle of 21.92?(7)°. In the crystal, inversion dimers linked by pairs of C-H?O hydrogen bonds generate R(2) (2)(22) loops. Aromatic ?-? stacking inter-actions [centroid-centroid distances = 3.8325?(12)-3.8600?(12)?Å] also occur.

| S-EPMC3239055 | 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

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