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(E)-4,4,4-Trifluoro-2,3-diphenylbut-2-enal

✍ Scribed by Fun, Hoong-Kun ;Ng, Shea-Lin ;Li, Zhe ;Xu, Jian-Hua

Publisher: International Union of Crystallography
Year: 2007
Tongue: English
Weight: 954 KB
Volume: 63
Category: Article
ISSN: 1600-5368
DOI: 10.1107/s1600536807028966

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✦ Synopsis

In the title compound, C 16 H 11 F 3 O, the dihedral angle between the two benzene rings is 4.66 (12) . In the crystal structure, the molecules are interlinked into columns along the b axis by intermolecular C-HÁ Á ÁO interactions and short OÁ Á ÁO contacts [2.525 (8) A ˚]. The crystal structure is further stabilized by weak intermolecular C-HÁ Á Á interactions. The linkage between the two phenyl rings is disordered over two positions in approximately a 0.6:0.4 ratio.

Related literature

For related literature on values of bond lengths, see: Allen et al. (1987). For a related structure, see: van Alem et al. (2005); Experimental Crystal data

C 16 H 11 F 3 O M r = 276.25 Monoclinic, C2=c a = 29.1818 (8) A b = 5.8972 (2) A c = 17.8356 (6) A = 123.485 (3) V = 2559.92 (17) A ˚3 Z = 8 Mo K radiation = 0.12 mm À1 T = 100.0 (1) K 0.53 Â 0.11 Â 0.08 mm Data collection Bruker SMART APEX II CCD area-detector diffractometer Absorption correction: multi-scan (SADABS; Bruker, 2005) T min = 0.851, T max = 0.991 24392 measured reflections 3611 independent reflections 2817 reflections with I > 2(I) R int = 0.035 Refinement R[F 2 > 2(F 2 )] = 0.074 wR(F 2 ) = 0.199 S = 1.

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