Triethyl benzene-1,3,5-tricarboxylate
✍ Scribed by Dale, Sophie H. ;Elsegood, Mark R. J.
- Publisher
- International Union of Crystallography
- Year
- 2003
- Tongue
- English
- Weight
- 150 KB
- Volume
- 59
- Category
- Article
- ISSN
- 1600-5368
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✦ Synopsis
The title compound, C 15 H 18 O 6 , ®rst synthesized in 1868, has previously been analysed by single-crystal X-ray diffraction, but only the unit-cell dimensions and space group have been published. Here we present the full low-temperature structure determination and show that the title compound crystallizes in the chiral space group P6 5 (or P6 1 ), despite its inherent nonchirality.
📜 SIMILAR VOLUMES
In the title molecule, C 15 H 15 N 9 O 6 , all bond lengths and angles are within normal ranges. In the crystal structure, molecules are linked into centrosymmetric dimers by weak C-HÁ Á ÁO hydrogen bonds.
Single-crystal X-ray study T = 183 K Mean '(C±C) = 0.003 A Ê R factor = 0.052 wR factor = 0.142 Data-to-parameter ratio = 12.5 For details of how these key indicators were automatically derived from the article, see http://journals.iucr.org/e.
Single-crystal X-ray study T = 298 K Mean '(C±C) = 0.003 A Ê R factor = 0.041 wR factor = 0.107 Data-to-parameter ratio = 11.2 For details of how these key indicators were automatically derived from the article, see http://journals.iucr.org/e.