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2012•Acta Crystallographica Section E Structure Reports OnlineOpen access

3,5-Dimethyl-1-(4-nitrophenyl)-1H-pyrazole

Edward R. T. Tiekink, Solange M. S. V. Wardell, J.L. Wardell

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Abstract

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] between translationally related mol-ecules involving both the five- and six-membered rings.

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What this paper is about

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] between translationally related mol-ecules involving both the five- and six-membered rings.

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Available abstract

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] between translationally related mol-ecules involving both the five- and six-membered rings.

Key concepts: Dihedral angle, Pyrazole, Benzene, Ring (chemistry), Chemistry, Nitro, Derivative (finance), Bioinformatics

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