Structural studies of analgesics and their interactions .10. A hydrated 1-1 complex between niflumic acid and ethanolamine, c13h8f3n2o-2.c2h8no+.h2o.


Autoria(s): Dhanaraj, V; Vijayan, M
Data(s)

01/10/1983

Resumo

Mr= 361.3, triclinic, P1, a = 6-239 (2), b=11.280(2), c=12-451(2)A, a=101.2 (1), B= 92.3 (1), 7=99.9(1)°, V=844.123 A3, Z=2, Dx= 1.42, D m = 1.42 (1) Mg m -3, n(Cu Ka) = 1.5418 ,A., g = 1-102 mm -1, F(000) = 376, T= 293 K. Final R = 0.064 for 2150 observed reflections. The niflumic acid anions consist essentially of three planar groupings, namely, two six-membered rings and a carboxylate group attached to one of them. The invariant common structural features observed in the crystal structures of fenamates, namely, the coplanarity of the carboxyl group and the six-membered ring bearing it, and the internal hydrogen bond between the carboxyl group and the imino N atom that bridges the two sixmembered rings, are retained in the complex. The amino N atom is gauche with respect to the terminal hydroxyl group in the ethanolamine cation. The complexation between the two molecules is achieved through ionic and hydrogen-bonded interactions involving the carboxylate group in niflumic acid.

Formato

application/pdf

Identificador

http://eprints.iisc.ernet.in/20294/1/a22736.pdf

Dhanaraj, V and Vijayan, M (1983) Structural studies of analgesics and their interactions .10. A hydrated 1-1 complex between niflumic acid and ethanolamine, c13h8f3n2o-2.c2h8no+.h2o. In: Acta Crystallographica Section C: Crystal Structure Communications, 39 (10). pp. 1398-1401.

Publicador

Munksgaard International Publications

Relação

http://scripts.iucr.org/cgi-bin/paper?S0108270183008653

http://eprints.iisc.ernet.in/20294/

Palavras-Chave #Molecular Biophysics Unit
Tipo

Journal Article

PeerReviewed