The crystal structure of ethyl 2,3,5,6-tetramethylbenzoate, C 13 H 18 O 2 , has been determined and torsion angles are compared to those previously reported in a dipole moment study of substituted benzoates.
Benzyl 2,3,4,6-tetramethylbenzoate
✍ Scribed by Pinkus, A. G. ;Klausmeyer, Kevin K. ;Feazell, Rodney P. ;Lin, Ellen C. H. Y.
- Publisher
- International Union of Crystallography
- Year
- 2006
- Tongue
- English
- Weight
- 121 KB
- Volume
- 62
- Category
- Article
- ISSN
- 1600-5368
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📜 SIMILAR VOLUMES
Single-crystal X-ray study T = 293 K Mean '(C±C) = 0.002 A Ê R factor = 0.046 wR factor = 0.145 Data-to-parameter ratio = 16.0 For details of how these key indicators were automatically derived from the article, see http://journals.iucr.org/e.
The title compound, C~26~H~26~N~2~O~7~, is a thiamidine derivative. Geometric parameters are in the usual ranges. The crystal packing is stabilized by a classical N—H...O hydrogen bond, several weak C—H...O hydrogen bonds and a π–π stacking interaction.
Single-crystal X-ray study T = 120 K Mean (C-C) = 0.003 A R factor = 0.055 wR factor = 0.142 Data-to-parameter ratio = 12.7 For details of how these key indicators were automatically derived from the article, see http://journals.iucr.org/e.