Crystal and Molecular Structure of Sulfadimethoxine, Polymorph III

✍ Scribed by U.H. Patel; B.H. Patel; B.N. Patel

• Publisher: John Wiley and Sons
• Year: 2001
• Tongue: English
• Weight: 90 KB
• Volume: 36
• Category: Article
• ISSN: 0232-1300
• DOI: 10.1002/1521-4079(200112)36:12<1445::aid-crat1445>3.0.co;2-f

✦ Synopsis

Crystal structure of sulfadimethoxine, C 12 H 14 N 4 O 4 S, has been determined and refined to an R-value of 0.043 using direct methods. I t crystallizes in the triclinic space group P1 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 b onds, amino nitrogen plays the role of donor in two different intermolecular hydrogen bonds where sulfonyl oxygen and pyrimidine nitrogen act as acceptor.