Dimethyl 1-(4-cyanobenzyl)-1H-pyrazole-3,5-dicarboxylate

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3,5-Dimethyl-1-(4-nitro­phen­yl)-1H-pyrazole

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] betw...

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

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-...

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

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].

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3,5-Dimethyl-1-phenyl-1H-pyrazole-4-carbaldehyde

In the title mol-ecule, C(12)H(12)N(2)O, the five- and six-membered rings form a dihedral angle of 68.41 (16)°. The aldehyde group is nearly coplanar with the pyrazole ring [C-C-C-O torsion angle = -0.4 (5)°]. The three-dimensional architecture is sustained by weak C-H⋯O and C-H⋯π inter-actions.

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Dimethyl 1-(4-cyano­benz­yl)-1H-pyrazole-3,5-dicarboxyl­ate

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 [centro...

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ژورنال

عنوان ژورنال: Acta Crystallographica Section E Structure Reports Online

سال: 2009

ISSN: 1600-5368

DOI: 10.1107/s1600536809015578