Cunjin Xu, Yan-Qin Shi
Oct 5, 2011
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Influential Citations
21
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Journal
Journal of Chemical Crystallography
Abstract
The title compound, 5-chloro-3-methyl-1-phenyl-1H-pyrazole-4-carbaldehyde 2, was prepared in a series of syntheses to produce new pyrazole derivatives, and its crystal structure was determined by X-ray diffraction method. The crystal belongs to monoclinic, space group P21/c with unit cell parameters a = 6.7637(4) Å, b = 6.8712(3) Å, c = 22.4188(10) Å, β = 93.8458(14)º, V = 1039.56(9) Å3 and Z = 4. X-Ray reveals that the aldehydic fragment is almost coplanar with the adjacent pyrazole ring, but the two ring planes are inclined at 72.8(1)º. The molecule is linked to its neighbor by two directionally specific C–H···O interactions.Index AbstractA highly versatile intermediate, 5-chloro-3-methyl-1-phenyl-1H-pyrazole-4-carbaldehyde, was synthesized and its structure determined.