Abstract
The two independent molecules of the title compound, C7H5ClN4, both lie on a twofold rotation axis that passes through the centroids of the five- and six-membered rings and the attached Cl C atom. One molecule is nearly planar [dihedral angle between rings = 0.22 (6)°], whereas the other is significantly twisted [dihedral angle = 17.38 (6)°]. In the crystal, adjacent molecules are linked by N—H⋯N hydrogen bonds into a chain structure.
Highlights
The two independent molecules of the title compound, C7H5ClN4, both lie on a twofold rotation axis that passes through the centroids of the five- and six-membered rings and the attached Cl C atom
Adjacent molecules are linked by N—HÁ Á ÁN hydrogen bonds into a chain structure
Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: NG2726)
Summary
Key indicators: single-crystal X-ray study; T = 291 K; mean (C–C) = 0.003 A; R factor = 0.050; wR factor = 0.135; data-to-parameter ratio = 14.6. The two independent molecules of the title compound, C7H5ClN4, both lie on a twofold rotation axis that passes through the centroids of the five- and six-membered rings and the attached Cl C atom. One molecule is nearly planar [dihedral angle between rings = 0.22 (6)], whereas the other is significantly twisted [dihedral angle = 17.38 (6)]. Adjacent molecules are linked by N—HÁ Á ÁN hydrogen bonds into a chain structure
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