Diquino[4,3-b;3′,4′-e][1,4]thiaselenine
✍ Scribed by Besnard, Céline ;Kloc, Christian ;Siegrist, Theo ;Svensson, Christer ;Pluta, Krystian
- Publisher
- International Union of Crystallography
- Year
- 2006
- Tongue
- English
- Weight
- 225 KB
- Volume
- 62
- Category
- Article
- ISSN
- 1600-5368
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✦ Synopsis
The title compound, C 18 H 10 N 2 SSe, is a pentacyclic ring system folded along the SÁ Á ÁSe vector. The central thiaselenine ring adopts a boat conformation and the two halves of the molecule are related by a crystallographic mirror plane.
📜 SIMILAR VOLUMES
n anes [51. As a result the intramolecular Cl.. . C1 contacts are increased to values ranging from 3.308 to 3.338 A, and the planes of the four chlorines above, and the four chlorines below the central ring are separated by 2.454 A. The bond distances give no evidence for conjugation. The distances
The molecule of the title compound, C 19 H 14 N 6 S, is nonplanar and possesses no crystallographic symmetry. A C-HÁ Á ÁN intermolecular hydrogen bond is observed.
The title compound, C 13 H 13 FN 4 S,was prepared by the reaction of 4-amino-5-mercapto-3-propyl-1,2,4-triazole and 2-bromo-4 0 -fluoroacetophenone. The bond lengths and angles show normal values. The thiadiazine ring is non-planar.
In the title compound, C 11 H 9 FN 4 S, the triazole ring is planar, whereas the thiadiazine may be regarded as having a screwboat conformation.
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.