Acta Crystallographica Section E

Structure Reports Online

Volume 69, Part 5 (May 2013)


organic compounds



su2585 scheme

Acta Cryst. (2013). E69, o736-o737    [ doi:10.1107/S1600536813009914 ]

4-(2H-1,3-Benzodioxol-5-yl)-1-(4-methylphenyl)-1H-pyrazol-5-amine

N. N. Gajera, M. C. Patel, M. M. Jotani and E. R. T. Tiekink

Abstract: In the title compound, C17H15N3O2, two independent molecules (A and B) comprise the asymmetric unit. The major conformational difference arises in the relative orientation of the pyrazole ring amine and dioxole substituents which are anti in A and syn in B. The five-membered dioxole ring in each molecule has an envelope conformation with the methylene C atom as the flap. The mean plane through the benzodioxole and benzene groups make dihedral angles of 31.67 (8) and 68.22 (9)°, respectively, with the pyrazole ring in A; the equivalent values for B are 47.18 (7) and 49.08 (9)°. In the crystal, supramolecular zigzag chains along the b-axis direction arise as a result of N-H...N hydrogen bonding. These are consolidated into supramolecular double chains via C-H...O and C-H...[pi] interactions.


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