U. H. Patel, B. H. Patel, B. N. Patel: Crystal and Molecular Structure of Sulfadimethoxine, Polymorph III

Crystal Research and Technology

Cryst. Res. Technol. 36 (2001) 1445 - Abstract -

U. H. Patel, B. H. Patel, B. N. Patel*

Sardar Patel University, Gujarat, India
*N. V. Patel Science Collage, V. V. Nagar

Crystal and Molecular Structure of Sulfadimethoxine, Polymorph III

Crystal structure of sulfadimethoxine, C₁₂H₁₄N₄O₄S, has been determined and refined to an R-value of 0.043 using direct methods. It crystallizes in the triclinic space group P-1 with a = 7.946(1), b = 9.330(1), c = 10.407(1)Å, α = 93.46(1), β = 95.43(1), γ = 114.62(1)° and Z = 2. The dihedral angle between the two six - membered rings of the molecule is 77.6(8)°. Molecule adopts a gauche conformation about S8-N11 bond with torsional angle of 60.0(2)°. The structure is mainly stable due to strong hydrogen bonds, amino nitrogen plays the role of donor in two different intermolecular hydrogen bonds where sulfonyl oxygen and pyrimidine nitrogen act as acceptor.

Keywords: X-ray diffraction, polymorph, sulfonamide

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