data-to-parameter ratio = 20.6; disorder in main residue; mean ?(C-C) = 0.003 R factor = 0.053; single-crystal X-ray study; T = 293 K; wR factor = 0.164
The molecular conformation of the title compound, C15H 10ClN3, is stabilized by an intramolecular N-H?N hydrogen bond with an S(7) ring motif. The crystal packing is controlled by N-H?N and C-H?N intermolecular interactions. One of the methylene groups of the cyclohexene ring is disordered over two positions with refined occupancies of 0.457 (12) and 0.543 (12).
Sekar M.; Velmurugan R.; Vijayasankar A.V.; Ramesh P.; Ponnuswamy M.N.
Acta Crystallographica Section E: Structure Reports Online, Vol-67, No. 12, pp. o3268-.
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https://doi.org/10.1107/S1600536811046575 https://www.scopus.com/inward/record.uri?eid=2-s2.0-83155163767&doi=10.1107%2fS1600536811046575&partnerID=40&md5=1d92deac970a370039d84b6ff4f3adcc
Sekar M., Post Graduate and Research Department of Chemistry, Sri Ramakrishna Mission Vidyalaya College of Arts and Science, Coimbatore 641 020, India; Velmurugan R., Post Graduate and Research Department of Chemistry, Sri Ramakrishna Mission Vidyalaya College of Arts and Science, Coimbatore 641 020, India; Vijayasankar A.V., Department of Engineering Chemistry, Christ University, Bangalore 560 029, Karnataka, India; Ramesh P., Centre of Advanced Study in Crystallography and Biophysics, University of Madras, Guindy Campus, Chennai 600 025, India; Ponnuswamy M.N., Centre of Advanced Study in Crystallography and Biophysics, University of Madras, Guindy Campus, Chennai 600 025, India