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2-Amino-4-(4-chloro­phenyl­thio)-5-phenyl-6-(1-piperidyl)­pyrimidine

✍ Scribed by Lynch, Daniel E. ;McClenaghan, Ian

Publisher
International Union of Crystallography
Year
2003
Tongue
English
Weight
250 KB
Volume
59
Category
Article
ISSN
1600-5368

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The title compound, C 24 H 23 ClN 4 , crystallizes in space group P1, with two crystallographically independent molecules in the asymmetric unit. In both molecules, the pyrrolidine ring adopts a half-chair conformation. The molecular packing in the crystal is stabilized by intermolecular CÐHÁ Á ÁN h

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Single-crystal X-ray study T = 193 K Mean '(C±C) = 0.002 A Ê R factor = 0.050 wR factor = 0.115 Data-to-parameter ratio = 16.7 For details of how these key indicators were automatically derived from the article, see http://journals.iucr.org/e.

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Single-crystal X-ray study T = 296 K Mean '(C±C) = 0.002 A Ê R factor = 0.037 wR factor = 0.105 Data-to-parameter ratio = 14.3 For details of how these key indicators were automatically derived from the article, see http://journals.iucr.org/e.