Single-crystal X-ray study T = 293 K Mean '(C±C) = 0.004 A Ê R factor = 0.044 wR factor = 0.146 Data-to-parameter ratio = 12.2 For details of how these key indicators were automatically derived from the article, see http://journals.iucr.org/e.
5-Phenyl-1,2,4-triazolo[3,4-b]benzothiazole
✍ Scribed by Abdul Ajees, A. ;Karthikeyan, S. ;Jayanthi, G. ;Ramakrishnan, V. T.
- Publisher
- International Union of Crystallography
- Year
- 2002
- Tongue
- English
- Weight
- 181 KB
- Volume
- 58
- Category
- Article
- ISSN
- 1600-5368
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✦ Synopsis
Single-crystal X-ray study T = 293 K Mean '(C±C) = 0.003 A Ê R factor = 0.045 wR factor = 0.128 Data-to-parameter ratio = 13.0 For details of how these key indicators were automatically derived from the article, see http://journals.iucr.org/e.
📜 SIMILAR VOLUMES
The asymmetric unit of the title compound, C 12 H 12 N 2 OS, contains two crystallographically independent molecules. Both molecules are essentially planar and stabilized by intraand intermolecular hydrogen-bonding interactions to form one-dimensional zigzag polymeric chains parallel to the c axis.
The molecules of the title compound, C 11 H 11 NOS 2 , form hydrogen-bonded dimers in the solid state. The amide H atom serves as hydrogen-bond donor and the thiocarbonyl S atom of a neighbouring molecule serves as acceptor. The pmethoxyphenyl substituent is tilted by 7.3 (5) from the thiazole-2(3H)
The molecular structure of (I), with 50% probability displacement ellipsoids.
In the title compound, C 11 H 11 FN 2 S, the dihedral angle between the least-squares planes of the fluoroaniline and 1,3-thiazole fragments is 46.47 (17) . The molecules form dimers by N-HÁ Á ÁN hydrogen bonds. There are no significant interactions in the crystal structure.
In the title compund, C~11~H~12~N~2~S, the whole molecule is essentially planar except for methyl H atoms, with a maximum deviation of 0.160 (2) Å for the aniline N atom. The molecule is stabilized by π–π interactions and intermolecular N—H...N hydrogen bonds, which produce dimers located about the