The crystal and mol. structures of the title compd. were detd. by x-ray diffraction. The structure was solved by direct methods and refined by full-matrix least-squares procedures to an R of 0.08. The crystals are triclinic, space group P‾1, with a 12.43(7), b 5.09(2), c 10.94(5), α 130°20'(10'), β 103°7'(12'), and γ 84°20'(12'); Z = 2. The carboxylic acid groups are disposed in planes nearly orthogonal to each other, as found in malonic acid. The mols. are linked in rows by H-bonds about symmetry centers. Partial nonstaggered conformations of the C6H13 groups are not obsd. [on SciFinder(R)]
Hexylmalonic acid, C9H16O4 / Lepore, Ugo; G. C., Lepore; P., Ganis; Castronuovo, Giuseppina. - In: CRYSTAL STRUCTURE COMMUNICATIONS. - ISSN 0302-1742. - STAMPA. - 5:(1976), pp. 29-30.
Hexylmalonic acid, C9H16O4
LEPORE, UGO;CASTRONUOVO, GIUSEPPINA
1976
Abstract
The crystal and mol. structures of the title compd. were detd. by x-ray diffraction. The structure was solved by direct methods and refined by full-matrix least-squares procedures to an R of 0.08. The crystals are triclinic, space group P‾1, with a 12.43(7), b 5.09(2), c 10.94(5), α 130°20'(10'), β 103°7'(12'), and γ 84°20'(12'); Z = 2. The carboxylic acid groups are disposed in planes nearly orthogonal to each other, as found in malonic acid. The mols. are linked in rows by H-bonds about symmetry centers. Partial nonstaggered conformations of the C6H13 groups are not obsd. [on SciFinder(R)]I documenti in IRIS sono protetti da copyright e tutti i diritti sono riservati, salvo diversa indicazione.
