2-(1H-1,2,3-Benzotriazol-1-yl)-1-benzoylethyl 4-methylbenzoate

Wu-Lan Zeng, Yun-Chen Zhang, Yi-Ming Hong
2007 Acta Crystallographica Section E  
Key indicators: single-crystal X-ray study; T = 294 K; mean (C-C) = 0.004 Å; R factor = 0.049; wR factor = 0.140; data-to-parameter ratio = 15.2. In the crystal structure of the title compound, C 23 H 19 N 3 O 3 , molecules are linked into chains parallel to the c axis by C-HÁ Á ÁO hydrogen bonds. Adjacent chains are assembled into two-dimensional layers via C-HÁ Á ÁN hydrogen bonds. The packing is further stabilized byinteractions between triazole and phenyl rings. Related literature For a
more » ... iterature For a general background on the pharmacological activities of benzotriazoles, see: Chen & Wu (2005). For related literature, see: Allen et al. (1987). Experimental Crystal data C 23 H 19 N 3 O 3 M r = 385.41 Monoclinic, C2=c a = 20.376 (4) Å b = 19.648 (4) Å c = 10.213 (2) Å = 107.605 (4) V = 3897.3 (13) Å 3 Z = 8 Mo K radiation = 0.09 mm À1 T = 294 (2) K 0.22 Â 0.18 Â 0.12 mm Data collection Siemens SMART CCD areadetector diffractometer Absorption correction: multi-scan (SADABS; Sheldrick, 1996) T min = 0.981, T max = 0.989 11106 measured reflections 3994 independent reflections 2014 reflections with I > 2(I) R int = 0.046
doi:10.1107/s1600536807036331 fatcat:l4nggrl7i5d63oacqdhhoxoaxe