Single-crystal X-ray study T = 293 K Mean '(C±C) = 0.004 A Ê R factor = 0.034 wR factor = 0.103 Data-to-parameter ratio = 13.7 For details of how these key indicators were automatically derived from the article, see http://journals.iucr.org/e.
Tris(2-ammonioethyl)amine tris({2-[(2,6-dichlorophenyl)amino]phenyl}acetate) hexahydrate
✍ Scribed by Lynch, Daniel E. ;Bening, Ajmer S. ;Parsons, Simon
- Publisher
- International Union of Crystallography
- Year
- 2003
- Tongue
- English
- Weight
- 191 KB
- Volume
- 59
- Category
- Article
- ISSN
- 1600-5368
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✦ Synopsis
The structure of the title compound, C 6 H 21 N 4 3+ Á3C 14 H 10 -Cl 2 NO 2 À Á6H 2 O, comprises the 1:3 organic salt of tris(2ethylamine)amine and diclofenac acid, with an approximated six water molecules in an extensive hydrogen-bonding network. Two water molecules exist as full-occupancy molecules but the remainder are all disordered with partial occupancies. Disorder is also present in the base molecule, with the ammonium group of one 2-ammonioethyl arm unequally disordered over two sites.
📜 SIMILAR VOLUMES
The title compound, C 25 H 26 O 2 , was isolated and characterized as a stable intermediate in the conversion of 2,2-diphenylethyl 2,4,6-trimethylphenyl ketone to its formaldehyde-derived enone.
Single-crystal X-ray study T = 130 K Mean '(C±C) = 0.003 A Ê Disorder in solvent or counterion R factor = 0.046 wR factor = 0.126 Data-to-parameter ratio = 11.9 For details of how these key indicators were automatically derived from the article, see http://journals.iucr.org/e.