Crystal Research and Technology
Cryst. Res. Technol. 36 (2001) 93 - Abstract -

Rajnikant, V. K. Gupta, V. D. Rangari*, S. R. Bapat*, R. B. Agarwal*, R. Gupta

Crystallography Laboratory, Post-Graduate Department of Physics, University of Jammu, Jammu Tawi, India
*Bharati Vidyapeeth’s Poona College of Pharmacy, Erandavane, Pune, India

Crystallographic Analysis of Acetyl β -boswellic acid

The crystal structure of the title compound (3 α -acetoxy-urs-12-en-24-oic acid, C32H50O4) has been determined by X-ray crystallographic techniques. The compound crystallizes into orthorhombic space group P212121 with unit cell parameters : a = 12.773(2), b=16.381(4), c=27.929(7)Å. The structure has been solved by direct methods and refined to R = 0.054 for 4930 observed reflections. The structure contains two crystallographically independent molecules in the asymmetric unit which are almost identical in geometry. Rings A, B, D and E have chair conformations while ring C assumes a sofa conformation in both the molecules. The molecules in the structure are linked together by intra- and intermolecular O-H…O and C-H…O hydrogen bonds.

Keywords: X-ray crystallography, crystal structure, ring conformation, terpenoid, single crystal X-ray diffractometer, X-ray diffraction



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