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Crystal and Molecular Structure of Sulfadimethoxine, Polymorph III
Author(s) -
Patel U.H.,
Patel B.H.,
Patel B.N.
Publication year - 2001
Publication title -
crystal research and technology
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.377
H-Index - 64
eISSN - 1521-4079
pISSN - 0232-1300
DOI - 10.1002/1521-4079(200112)36:12<1445::aid-crat1445>3.0.co;2-f
Subject(s) - triclinic crystal system , dihedral angle , hydrogen bond , crystallography , chemistry , sulfadimethoxine , molecule , crystal structure , sulfonyl , intermolecular force , crystal (programming language) , acceptor , stereochemistry , organic chemistry , alkyl , physics , chromatography , computer science , programming language , condensed matter physics
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. It crystallizes in the triclinic space group P $\bar 1$ 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.