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.
Structure of 1-amino-5-benzoyl-4-phenyl-1H-pyrimidine-2-thione
✍ Scribed by Akkurt, M. ;Güldeste, A. ;Soylu, H. ;Altural, B. ;Saripinar, E.
- Book ID
- 114508772
- Publisher
- International Union of Crystallography
- Year
- 1992
- Tongue
- English
- Weight
- 331 KB
- Volume
- 48
- Category
- Article
- ISSN
- 0108-2701
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📜 SIMILAR VOLUMES
The title compound, C 21 H 20 N 2 O 3 S, is a derivative of pyrimidine-2-thione and consists of planar fragments. The molecules are linked by CÐHÁ Á ÁO/CÐHÁ Á ÁS hydrogen bonds and by %±% and CÐHÁ Á Á% interactions.
In the title compound, C 27 H 23 N 3 O 5 , the pyrimidine ring is slightly puckered. The mean plane of the pyrimidine ring forms dihedral angles of 28.26 (10), 55.53 (9) and 55.96 (10) with the three benzene rings in the molecule. There are intramolecular and intermolecular C-HÁ Á ÁO interactions.
Single-crystal X-ray study T = 293 K Mean '(C±C) = 0.005 A Ê R factor = 0.062 wR factor = 0.197 Data-to-parameter ratio = 15.4 For details of how these key indicators were automatically derived from the article, see http://journals.iucr.org/e.