Dimethyl 5-oxo-4,5-dihydro-1H-tetrazole-1,4-dicarboxylate
✍ Scribed by Crockett, Rowena ;Forrester, Alexander R. ;Howie, R. Alan
- Publisher
- International Union of Crystallography
- Year
- 2003
- Tongue
- English
- Weight
- 176 KB
- Volume
- 59
- Category
- Article
- ISSN
- 1600-5368
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✦ Synopsis
A notable feature of the structure of the title compound, C 5 H 6 N 4 O 5 , is the presence of four crystallographically independent and essentially planar but otherwise unremarkable molecules in the asymmetric unit. The molecules are distributed as two pairs which differ in conformation from one pair to the other in the orientation of one of the carbomethoxy substituents relative to the tetrazole ring.
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In the paper by Fun, Wang, Xu, Li & Zhang [Acta Cryst. (2003), E59, o1827±o1829], two errors are corrected. First, in the second paragraph of the Comment, `C8ÐC13' on line 6 should read `C2ÐC13'. Secondly, in the third paragraph of the Comment, `the O3/C11/N2/C13 plane' on line 4 should read `the C1
Single-crystal X-ray study T = 183 K Mean '(C±C) = 0.006 A Ê R factor = 0.035 wR factor = 0.079 Data-to-parameter ratio = 14.0 For details of how these key indicators were automatically derived from the article, see http://journals.iucr.org/e.