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3-[(2-Chlorothiazol-5-yl)methyl]-5-(isobutylamino)-6-phenyl-3H-1,2,3-triazolo[4,5-d]pyrimidin-7(6H)-one

✍ Scribed by Xiao, Lin-Xia ;Shi, De-Qing

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

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✦ Synopsis

The title compound, C 18 H 18 ClN 7 OS, the mean plane of the triazolopyrimidine system makes dihedral angles of 77.54 (13) and 80.15 (13) , respectively, with the attached phenyl and 2chlorothiazole rings. The crystal packing is stabilized by intermolecular N-HÁ Á ÁN hydrogen bonds and weakstacking interactions [the interplanar distance is 3.724 ( 2) A ˚]. = 101.527 (2) V = 4005.0 (6) A ˚3 Z = 8 Mo K radiation = 0.32 mm À1 T = 294 (2) K 0.20 Â 0.10 Â 0.04 mm Data collection Bruker SMART APEX CCD areadetector diffractometer Absorption correction: multi-scan (SADABS; Sheldrick, 2001) T min = 0.939, T max = 0.987 17095 measured reflections 4343 independent reflections 2226 reflections with I > 2(I) R int = 0.096 Refinement R[F 2 > 2(F 2 )] = 0.064 wR(F 2 ) = 0.143 S = 0.98 4343 reflections

📜 SIMILAR VOLUMES

6-(4-Fluoro­phen­yl)-5-morpholino-3-phen
6-(4-Fluoro­phen­yl)-5-morpholino-3-phenyl-2-thioxo-2,3-dihydro­thia­zolo[4,5-d]pyrimidin-7(6H)-one
✍ Fan, Shuang ;Liang, Ying ;He, Hong-Wu 📂 Article 📅 2006 🏛 International Union of Crystallography 🌐 English ⚖ 386 KB

In the structure of the title compound, C 21 H 17 FN 4 O 2 S 2 , the fused thiazolopyrimidine ring system is nearly planar. The morpholine ring adopts a chair conformation. The crystal structure is stabilized by C-HÁ Á ÁO hydrogen bonds and weak stacking interactions.