The title compound, C 12 H 18 N 4 O 3 S, is the first example of a fused dicyclic hexahydro-4-oxa-5-thia-1,6,7a-triazaindene ring system. The structure comprises two molecules in the asymmetric unit, which differ in terms of the orientation of their pendant n-propyl groups.
(2,3-Dimethyl-7,7-dioxo-7H-4-oxa-7λ6-thia-1,6,7a-triazainden-5-yl)diethyamine
✍ Scribed by Liepa, Andris J. ;Jahangiri, Saba ;Fallon, Gary D. ;Forsyth, Craig M.
- Publisher
- International Union of Crystallography
- Year
- 2007
- Tongue
- English
- Weight
- 106 KB
- Volume
- 63
- Category
- Article
- ISSN
- 1600-5368
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✦ Synopsis
The title compound, C 10 H 16 N 4 O 3 S, is the first example of a fused bicyclic oxathiatriazaindene ring system The sixmembered heterocycle adopts a boat conformation. Molecules are linked by weak C-HÁ Á ÁO hydrogen bonds.
📜 SIMILAR VOLUMES
In the paper by Liepa, Jahangiri, Fallon, Forsyth & Warden [Acta Cryst. (2006), E62, o4470-o4472], there is an error in the reaction scheme. The correct scheme is given below.
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## Abstract A detailed investigation of the reaction of hippuric acid (2) with dimedone (1) and triethyl orthoformate or other one‐carbon sources in acetic anhydride yielding the benzopyran derivative 3 and many byproducts is described. An explanation of this complex process, several attempts to op
Single-crystal X-ray study T = 100 K Mean '(C±C) = 0.004 A Ê R factor = 0.040 wR factor = 0.107 Data-to-parameter ratio = 15.3 For details of how these key indicators were automatically derived from the article, see http://journals.iucr.org/e.