Paper
Methyl 5-phenyl-1 H -pyrazole-3-carboxylate
Published Nov 1, 2007 · Guang-Hua Zhou, Y. An, Jing Han
Acta Crystallographica Section E-structure Reports Online
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Abstract
The title compound, C11H10N2O2, was prepared by the esterfication of 5-phenyl-1H-pyrazole-3-carboxylic acid with methanol. The phenyl ring is rotated out of the pyrazole plane, forming a dihedral angle of 6.4 (1)°. The crystal structure is stabilized by intermolecular aromatic π–π interactions [with a centroid–centroid distance of 3.862 (3) A between the pyrazole ring and the benzene ring of a neighboring molecule], and by three different types of hydrogen bond (N—H...N, N—H...O and C—H...O).
Methyl 5-phenyl-1H-pyrazole-3-carboxylate exhibits a dihedral angle of 6.4(1)° and is stabilized by intermolecular aromatic - interactions and various hydrogen bonds.
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