3-Ethoxy-5,6,7,8-tetrahydro-1-hydroxyisoquinoline-4-carbonitrile, C12H14N2O2
Salisi i Casajuana, Sabina (Universitat Autònoma de Barcelona. Departament de Geologia)
Solans, Xavier, 1949-2007 (Universitat de Barcelona. Departament de Cristal·lografia, Mineralogia i Dipòsits Minerals)
Font-Altaba, Manuel (Universitat de Barcelona. Departament de Cristal·lografia, Mineralogia i Dipòsits Minerals)
Briansó, José Luis (Universitat Autònoma de Barcelona. Departament de Geologia)

Date:	1985
Abstract:	Mr=218. 25, monoclinic, P2l/n, a= 1. 33 g cm-3, (Mo Ka) = 0. 71069 A, µ=0. 86 cm-1, 20. 000(2), b = 6. 219(1), c=8. 794(1)A, β= F(000)= 464, T=298 K. Final R = 0. 056 for 136994. 31 (2)º, V = 1090. 7(4)A3, Z=4 Dx= observed reflections. The pyridine ring is planar, two (carbonyl and carbonitrile) substituents deviate at the same side of the plane, while the remaining substituents deviate at the other side. The six-carbon-membered ring has a skew-boat form. Bond angles and lengths are similar to those observed in the literature. Enantiomeric molecules are hydrogen-bonded by means of the carbonyl O and the N atom of the isoquinoline moiety.
Rights:	Tots els drets reservats.
Language:	Anglès
Document:	Article ; Versió publicada
Subject:	Cristal·lografia ; Crystallography
Published in:	Acta Crystallographica. Section C: Crystal Structure Communications, Vol. 41, Issue 3 (March 1985) , p. 474-476, ISSN 1600-5759

DOI: 10.1107/S0108270185004334

3 p, 319.5 KB

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