Abstract
The title compound, C15H16ClN5O, contains two molecules, A and B, in the asymmetric unit, in which the dihedral angles between the terminal aromatic rings are 42.41 (17) and 45.77 (18)°. The central six-membered ring in both molecules has a chair conformation with equatorial substituents. In the crystal, molecules are linked into [100] C(4) chains of alternating A and B molecules by N—H⋯O hydrogen bonds.
Highlights
The title compound, C15H16ClN5O, contains two molecules, A and B, in the asymmetric unit, in which the dihedral angles between the terminal aromatic rings are 42.41 (17) and 45.77 (18)
R-factors based on F2 are statistically about twice as large as those based on F, and R- factors based on ALL data will be even larger
Summary
Key indicators: single-crystal X-ray study; T = 293 K; mean (C–C) = 0.005 A; R factor = 0.058; wR factor = 0.223; data-to-parameter ratio = 17.8. The title compound, C15H16ClN5O, contains two molecules, A and B, in the asymmetric unit, in which the dihedral angles between the terminal aromatic rings are 42.41 (17) and 45.77 (18). The central six-membered ring in both molecules has a chair conformation with equatorial substituents. Molecules are linked into [100] C(4) chains of alternating A and B molecules by N—HÁ Á ÁO hydrogen bonds. Related literature For related structures, see: Li (2011a,b)
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