M. Gupta, M. Sahu
Dec 15, 1971
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Influential Citations
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Journal
Acta Crystallographica Section B Structural Crystallography and Crystal Chemistry
Abstract
The crystal structure of dicarboxylic homophthalic acid, C 9 H 8 0 4 , has been determined using threedimensional X-ray diffraction data and refined by the method of least-squares to an R value of 0.107. The crystals are triclinic, a= 8.44, b= 10-773, c=5"215 A,, ~=80°3 ', fl= 116°10 ', y=96°44 ', with two molecules in a unit cell, space group symmetry P i . In the crystal structure, homophthalic acid molecules form an extended system of hydrogen bonds, each molecule being linked through its two carboxyl groups to two nearest neighbours, the hydrogen bonds being 2.66 and 2.62 A, in length across centres of symmetry. The two hydrogen bonds are in nearly mutually perpendicular planes and the two carboxyl groups themselves in the molecule are rotated out of the central aromatic ring by 8 ° 30' & 89 ° 54'. 2469