2,2′-[1,2-Phenylenebis(methylenethio)]bis(5-methyl-1,3,4-thiadiazole)
✍ Scribed by Zheng, Yan ;Liu, Hai-Bo
- Publisher
- International Union of Crystallography
- Year
- 2002
- Tongue
- English
- Weight
- 157 KB
- Volume
- 59
- Category
- Article
- ISSN
- 1600-5368
No coin nor oath required. For personal study only.
✦ Synopsis
The title compound (PBT), C 14 H 14 N 4 S 4 , possesses C 2 symmetry, with the twofold axis bisecting the central benzene ring. The two terminal 2-(5-methyl-1,3,4-thiodiazolyl)thio groups adopt a trans conformation with respect to the benzene moiety, and the dihedral angle between the two thiodiazole planes is 61.3 (2) , while that between the thiodiazole and benzene planes is 79.4 (5) .
📜 SIMILAR VOLUMES
The title compound, C 9 H 7 N 3 OS 2 , is essentially planar and features an intramolecular OÐHÁ Á ÁN interaction. Centrosymmetrically related molecules associate via NÐHÁ Á ÁS contacts.
The crystal structure of the title compound, C 22 H 20 N 2 O 2 , is stabilized by C-HÁ Á ÁO, C-HÁ Á Á andinteractions. The central benzene ring forms dihedral angles of 58.55 (6) and 4.02 (6) with the terminal benzene rings.
In the crystal structure of the title compound, C 10 H 9 ClN 2 O 3 S, there are intramolecular C-HÁ Á ÁO and C-HÁ Á ÁN and intermolecular C-HÁ Á ÁO hydrogen bonds.
Single-crystal X-ray study T = 133 K Mean '(C±C) = 0.005 A Ê R factor = 0.049 wR factor = 0.140 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.