Dimethyl 1-(4-cyanobenzyl)-1H-pyrazole-3,5-dicarboxylate
نویسندگان
چکیده
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.
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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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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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...
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The reaction of Co(NO(3))(2)·3H(2)O with pyridine-2,6-dicarboxylic acid and 3,5-dimethyl-1H-pyrazole in a 1:1:3 molar ratio affords the title complex, [Co(C(7)H(3)NO(4))(C(5)H(8)N(2))(3)]·H(2)O. The Co(II) atom is coordinated by one pyridine-2,6-dicarboxyl-ate chelating ligand and three 3,5-dimethyl-1H-pyrazole ligands in a distorted octa-hedral geometry. Hydrogen-bonding interactions involving...
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عنوان ژورنال:
دوره 65 شماره
صفحات -
تاریخ انتشار 2009