ISSN:
1573-1111
Schlagwort(e):
X-ray structure analysis
;
cyclopropanedicarboxylic acid host
;
dimethyl sulphoxide
;
crystalline complex
;
hydrogen bonding
Quelle:
Springer Online Journal Archives 1860-2000
Thema:
Chemie und Pharmazie
Notizen:
Abstract The crystal structures of the unsolvatedtrans-3,3-bis(4-methylphenyl)cyclopropane-1,2-dicarboxylic acid (1) and of its inclusion compound with dimethyl sulphoxide,1·DMSO (1:2), have been studied by X-ray diffraction. Crystals of1 show triclinic symmetry (P $$\bar I$$ ) withZ = 4 and the unit cell dimensionsa = 7.617(2),b = 15.321(4),c = 15.297(3) Å,α = 109.76(2),β = 103.47(1),γ = 89.87(2)°. FinalR = 0.037 for 3601 reflections collected atT = 153(1) K. Crystals of1·DMSO (1: 2) are monoclinic (P21/n) withZ = 4 and cell dimensionsa = 10.744(1),b = 10.806(1),c = 21.302(2) Å,β = 101.68(1)°. The clathrate structure was refined toR = 0.034 for 1671 reflections obtained atT = 173(1) K. In the unsolvated host compound cyclic pairs of O-H ... bonds, commonly observed in carboxylic acids, couple the carboxylic functions two by two, thus giving rise to endless chains due to the bifunctionality and thetrans position of the acid groups of1. The complex with DMSO as guest, however, consists of distinct hydrogen-bonded 1:2 host-guest associates, held together by weak intermolecular interactions.
Materialart:
Digitale Medien
URL:
http://dx.doi.org/10.1007/BF01029660
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