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3,5-Dimethyl-1-(4-nitro-phen-yl)-1H-pyrazole.

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.

SUBMITTER: Tiekink ER

PROVIDER: S-EPMC3343982 | biostudies-literature | 2012 Apr

REPOSITORIES: biostudies-literature

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3,5-Dimethyl-1-(4-nitro-phen-yl)-1H-pyrazole.

Tiekink Edward R T ER Wardell Solange M S V SM Wardell James L JL

Acta crystallographica. Section E, Structure reports online 20120310 Pt 4

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. ...[more]

PMID: 22589891

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