Dimethyl 1-(2-cyanobenzyl)-1H-pyrazole-3,5-dicarboxylate
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چکیده
منابع مشابه
Dimethyl 1-(2-cyanobenzyl)-1H-pyrazole-3,5-dicarboxylate
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.
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The title mol-ecule, C(9)H(9)N(3)O(4), syhthesized from 1H-pyrazole-3,5-dicarboxylic acid and 2-bromo-acetonitrile, is approximately planar; the inter-planar angles between the pyrazole ring and the mean planes of the two carboxylate units and the cyanomethyl unit are 4.49 (10), 5.56 (9) and 5.03 (19)°, respectively. In the crystal, inversion dimers linked by pairs of weak C-H ⋯O bonds occur, a...
متن کامل3,5-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...
متن کاملChloridotris(3,5-dimethyl-1H-pyrazole-κN 2)(formato-κO)copper(II)–dichloridobis(3,5-dimethyl-1H-pyrazole-κN 2)copper(II) (2/1)
The asymmetric unit of the title compound, [Cu(CHO(2))Cl(C(5)H(8)N(2))(3)](2)·[CuCl(2)(C(5)H(8)N(2))(2)] or 2[A]·[B], contains one A mol-ecule and one half-molecule of B, located on a centre of inversion. The Cu(II) environments in A and B are different. In A, the Cu(II) atom is coordinated by three N atoms from three 3,5-dimethyl-1H-pyrazole (L) ligands, one O atom from a formate ligand and a ...
متن کامل5-(2-Chlorophenoxy)-1,3-dimethyl-1H-pyrazole-4-carbaldehyde oxime
In the title mol-ecule, C(12)H(12)ClN(3)O(2), the benzene and pyrazole rings are inclined to each other at a dihedral angle of 83.3 (3)°. In the crystal, mol-ecules are linked into [010] chains via O-H⋯N hydrogen bonds with the unsubstituted pyrazole N atom acting as the acceptor.
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ژورنال
عنوان ژورنال: Acta Crystallographica Section E Structure Reports Online
سال: 2009
ISSN: 1600-5368
DOI: 10.1107/s1600536809015153