Hydrogen bonding in 3-methylenecyclohexane-1,1-dicarboxylic acid
✍ Scribed by Foces-Foces, C. ;Rodríguez, M. L. ;Pérez-Hernández, N.
- Publisher
- International Union of Crystallography
- Year
- 2007
- Tongue
- English
- Weight
- 271 KB
- Volume
- 63
- Category
- Article
- ISSN
- 1600-5368
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✦ Synopsis
In the title structure, C~9~H~12~O~4~, the molecules assemble into a one-dimensional hydrogen-bonded chain of carboxylic dimers of extended C
~2~
^2^(12)[R
~2~
^2^(8)] notation.
📜 SIMILAR VOLUMES
Single-crystal X-ray study T = 298 K Mean '(C±C) = 0.002 A Ê R factor = 0.039 wR factor = 0.113 Data-to-parameter ratio = 18.2 For details of how these key indicators were automatically derived from the article, see http://journals.iucr.org/e.
The 1:1 complex between the zwitterionic piperidinium-3-carboxylate (P3C) and salicylic acid (SAL), P3CÁSAL, has been characterized by single crystal X-ray analysis, FTIR and NMR spectroscopy, and by DFT calculations. The crystals are orthorhombic, space group Pbca, with a = 11.6477( 7), b = 9.1754(