Single-crystal X-ray study T = 100 K Mean '(C±C) = 0.003 A Ê R factor = 0.058 wR factor = 0.124 Data-to-parameter ratio = 12.1 For details of how these key indicators were automatically derived from the article, see http://journals.iucr.org/e.
Diethyl N,N′-o-phenylenedioxamate
✍ Scribed by Martín, Susana ;Beitia, Javier I. ;Ugalde, Maria ;Vitoria, Pablo ;Cortés, Roberto
- Publisher
- International Union of Crystallography
- Year
- 2002
- Tongue
- English
- Weight
- 230 KB
- Volume
- 58
- Category
- Article
- ISSN
- 1600-5368
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✦ Synopsis
The crystal structure analysis of the title compound, C 6 H 4 (NHC 2 O 3 C 2 H 5 ) 2 or C 14 H 16 N 2 O 6 , reveals a molecule with both oxamate groups twisted with respect to the benzene ring, as a result of steric interactions and the presence of three strong NÐHÁ Á ÁO and one weak CÐHÁ Á ÁO intramolecular hydrogen bonds. Centrosymmetrically related molecules form dimers connected by two NÐHÁ Á ÁO hydrogen bonds.
📜 SIMILAR VOLUMES
Single-crystal X-ray study T = 294 K Mean '(C±C) = 0.005 A Ê Disorder in main residue R factor = 0.057 wR factor = 0.145 Data-to-parameter ratio = 19.4 For details of how these key indicators were automatically derived from the article, see http://journals.iucr.org/e.
In the title compound, C 34 H 28 N 2 O 4 , the molecule lies on a crystallographic twofold axis. In the crystal structure, the molecules are linked by C-HÁ Á ÁO hydrogen bonds into double chains along the c axis. These chains are interlinked via C-HÁ Á Á interactions.