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6-Ethyl-2-(piperidin-1-yl)-3-p-tolylthieno[2,3-d]pyrimidin-4(3H)-one

✍ Scribed by Xie, Hai ;Peng, Xin-min ;Hu, Yang-gen

Publisher
International Union of Crystallography
Year
2007
Tongue
English
Weight
519 KB
Volume
63
Category
Article
ISSN
1600-5368

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✦ Synopsis

The crystal structure of the title compound, C 20 H 23 N 3 OS, is stabilized by intermolecular C-HÁ Á ÁO hydrogen bonds. The molecule contains a planar heterocyclic ring system, which forms a dihedral angle of 65.87 (1) with the adjacent tolyl ring. The piperidinyl ring has a distored chair conformation.

Related literature

For preparation and biological activity, see: Walter (1999a,b). For related literature, see: Ding et al. (2004); Hu et al. (2006, 2007).

Experimental

Crystal data C 20 H 23 N 3 OS M r = 353.47 Monoclinic, P2 1 =n a = 6.5376 (4) A ˚b = 18.6415 (12) A c = 15.5507 (10) A = 94.967 (1) V = 1888.1 (2) A ˚3 Z = 4 Mo K radiation = 0.18 mm À1 T = 296 (2) K 0.30 Â 0.20 Â 0.20 mm Data collection Bruker SMART 4K CCD areadetector diffractometer Absorption correction: multi-scan (SADABS; Sheldrick, 2003) T min = 0.947, T max = 0.964 16199 measured reflections 3683 independent reflections 2714 reflections with I > 2(I) R int = 0.042 Refinement R[F 2 > 2(F 2 )] = 0.069 wR(F 2 ) = 0.168 S = 1.09 3683 reflections

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