Abstract
The 12 non-H atoms defining the triple-fused-ring system in the title compound, C19H13ClN6, are almost coplanar (r.m.s. deviation = 0.023 Å). The chloro-substituted ring is almost effectively coplanar with the central atoms [dihedral angle = 6.74 (13)°], but the N-bound benzene ring is not [dihedral angle = 54.38 (13)°]. In the crystal, supramolecular chains along the a axis sustained by C—H⋯π and π–π [centroid–centroid distance between N4C and C4N five-membered rings = 3.484 (2) Å] stacking occur. A very long C—Cl⋯π contact is also seen.
Highlights
The 12 non-H atoms defining the triple-fused-ring system in the title compound, C19H13ClN6, are almost coplanar
The chloro-substituted ring is almost effectively coplanar with the central atoms [dihedral angle =
The authors are thankful to the Department of Science and Technology (DST), and the SAIF, IIT Madras, India, for the
Summary
Refinement a Department of Chemistry, M.G. Science Institute, Navrangpura, Ahmedabad, Gujarat 380 009, India, bDepartment of Physics, Bhavan’s Sheth R.A. College of Science, Ahmedabad, Gujarat 380 001, India, and cDepartment of Chemistry, University of Malaya, 50603 Kuala Lumpur, Malaysia. R factor = 0.035; wR factor = 0.096; data-to-parameter ratio = 7.1. The 12 non-H atoms defining the triple-fused-ring system in the title compound, C19H13ClN6, are almost coplanar (r.m.s. deviation = 0.023 Å). The chloro-substituted ring is almost effectively coplanar with the central atoms [dihedral angle =. 6.74 (13) ], but the N-bound benzene ring is not [dihedral angle = 54.38 (13) ]. Supramolecular chains along the a axis sustained by C—H and – [centroid–.
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