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3,5-Dimethyl-1-(4-nitro-phen-yl)-1H-pyrazole.

ABSTRACT: In the title pyrazole derivative, C(11)H(11)N(3)O(2), the benzene ring is twisted [dihedral angle = 31.38 (12)°] with respect to the pyrazole ring (r.m.s. deviation = 0.009 Å). The nitro group is effectively coplanar with the benzene ring to which it is attached [O-N-C-C torsion angle = -6.5 (3)°]. Supra-molecular chains along the b axis are formed owing to π-π inter-actions [3.8653 (2) Å] between translationally related mol-ecules involving both the five- and six-membered rings.

SUBMITTER: Tiekink ER

PROVIDER: S-EPMC3343982 | biostudies-literature |

REPOSITORIES: biostudies-literature

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3,5-Bis(4-fluoro-phen-yl)-1-(4-nitro-phen-yl)-4,5-dihydro-1H-pyrazole.

Project description:In the title compound, C(21)H(15)F(2)N(3)O(2), a pyrazole derivative bearing three aromatic substituents, the central five-membered heterocyclic ring makes dihedral angles of 1.77?(14), 3.68?(13) and 72.15?(14)° with the three benzene rings. In the crystal, C-H?O and C-H?F inter-actions connect the mol-ecules into double layers parallel to the bc plane.

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

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{2-[(3,5-Dimethyl-2H-pyrrol-2-yl-idene-?N)(4-nitro-phen-yl)meth-yl]-3,5-dimethyl-1H-pyrrol-1-ido-?N}difluoridoboron.

Project description:In an effort to discover novel and potential boron-dipyrromethene (BODIPY) dyes, the title compound, C(19)H(18)BF(2)N(3)O(2), was prepared from 2,4-dimethyl-pyrrole, 4-nitro-benzaldehyde and BF(3)·Et(2)O in a one-pot reaction. There are two independent mol-ecules, A and B, in the asymmetric unit in which the dihedral angles between the benzene ring and boron-dipyrromethene mean plane have significantly different values [82.71?(8)° for mol-ecule A and 73.16?(8)° for mol-ecule B]. Inter-molecular C-H?? inter-actions help to stabilize the crystal structure.

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3,5-Bis(2,4-dinitro-phen-yl)-4-nitro-1H-pyrazole acetone monosolvate.

Project description:The title structure, C(15)H(7)N(7)O(10)·C(3)H(6)O, was prepared by penta-nitration of 3,5-diphenyl-1H-pyrazole. The proton attached to a pyrazole N atom forms a hydrogen bond with the O atom of the acetone solvent mol-ecule, owing to the NO(2) enhanced acidity of the proton. The NO(2) group on the phenyl C atom is twisted by 33.9?(2)° from coplanarity with the ring in order to avoid a short intra-molecular O?O contact with an O atom of an adjacent pyrazole-bonded NO(2) group.

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Dimethyl 1-(3-cyano-benz-yl)-1H-pyrazole-3,5-dicarboxyl-ate.

Project description:In the mol-ecule of the title compound, C(15)H(13)N(3)O(4), the dihedral angle between the pyrazole and benzene ring planes is 67.7 (1)°. The crystal structure is stabilized by an intra-molecular C-H⋯O hydrogen bond and two weak inter-molecular C-H⋯O inter-actions.

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Dimethyl 1-(4-cyano-benz-yl)-1H-pyrazole-3,5-dicarboxyl-ate.

Project description:The title compound, C(15)H(13)N(3)O(4), was synthesized from dimethyl 1H-pyrazole-3,5-dicarboxyl-ate and 4-(bromo-meth-yl)benzonitrile. The inter-planar angle between the pyrazole and cyano-benzyl ring planes is 71.74 (17)° and an intramolecular C-H⋯O interaction occurs. The crystal structure is stabilized by π-π stacking inter-actions between the neighbouring pyrazole and benzene rings [centroid-centroid distances of 3.5074 (16) and 3.9401 (15) Å, respectively]. One of the methyl groups is disordered over two positions of equal occupancy.

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Dimethyl 1-(2-cyano-benz-yl)-1H-pyrazole-3,5-dicarboxyl-ate.

Project description:In the mol-ecule of the title compound, C(15)H(13)N(3)O(4), the dihedral angle between the pyrazole and benzene rings is 79.89 (6)°. An intra-molecular C-H⋯O hydrogen bond is present. The crystal structure is stabilized by π-π stacking inter-actions between centrosymmetrically related pyrazole rings with a centroid-centroid distance of 3.500 (3) Å.

| S-EPMC2977824 | biostudies-literature

3,5-Dimethyl-4-nitroso-1H-pyrazole.

Project description:In the unit cell of the title compound, C(5)H(7)N(3)O, there are two conformers (A and B) which differ in the position of the oxime group with respect to the protonated pyrazole nitro-gen (trans in the A conformer and cis in the B conformer) and in the geometric parameters. The oxime group exists in the nitroso form in both conformers. In the crystal, mol-ecules are linked by inter-molecular N-H⋯O and N-H⋯N hydrogen bonds into zigzag-like chains along the b axis.

| S-EPMC3200577 | biostudies-literature

4-Benzyl-3,5-dimethyl-1H-pyrazole.

Project description:In the title mol-ecule, C(12)H(14)N(2), the dihedral angle between the pyrazole and phenyl ring mean planes is 78.65 (19)°. In the crystal, mol-ecules are linked by N-H⋯N hydrogen bonds into chains along [010].

| S-EPMC3238866 | biostudies-literature

Dimethyl 2,6-dimethyl-4-(2-nitro-phen-yl)pyridine-3,5-dicarboxyl-ate.

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| S-EPMC3247561 | biostudies-literature

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