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2,4-Dibenzoyl-1-phenyl-3,5-di2-thienylcyclohexanol

✍ Scribed by Huang, Xian-Qiang ;Wang, Jin-Xian

Book ID
104491801
Publisher
International Union of Crystallography
Year
2007
Tongue
English
Weight
855 KB
Volume
63
Category
Article
ISSN
1600-5368

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✦ Synopsis

The title compound, C 34 H 28 O 3 S 2 , was synthesized by the reaction of thiophene-2-carbaldehyde with acetophenone and NaOH under phase-transfer catalysis and solvent-free conditions. The central six-membered ring adopts a chair conformation and all the bulky side groups are located in equatorial positions. The hydroxyl group is involved in weak intramolecular hydrogen bonding.

Related literature

The crystal structure of 2,4-dibenzoyl-3,5-bis(4-methoxyphenyl)-1-phenylcyclohexanol was reported by Luo et al. (2006).

Experimental

Crystal data C 34 H 28 O 3 S 2 M r = 548.68 Orthorhombic, Pbca a = 19.477 (3) A b = 12.1666 (19) A c = 23.970 (4) A ˚V = 5680.2 (16) A ˚3 Z = 8 Mo K radiation = 0.22 mm À1 T = 298 (2) K 0.53 Â 0.17 Â 0.08 mm Data collection Bruker SMART CCD area-detector diffractometer Absorption correction: multi-scan (SADABS; Sheldrick, 1996) T min = 0.892, T max = 0.983 26904 measured reflections 4916 independent reflections 2398 reflections with I > 2(I) R int = 0.080 Refinement R[F 2 > 2(F 2 )] = 0.077 wR(F 2 ) = 0.269 S = 1.02 4916 reflections

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The title compound, C 21 H 19 N 5 , has been synthesized and characterized by single-crystal X-ray diffraction. The dihedral angle between the benzene and triazole rings is 123.0 (5) . The triazole ring forms dihedral angles of 36.5 (5) and 50.1 (5) with the two pyridyl rings.