Collect. Czech. Chem. Commun.
1990, 55, 1529-1534
https://doi.org/10.1135/cccc19901529
Crystal and molecular structure of 2-dimethylaminomethyl-3'-hydroxydiphenyl sulphide maleate
Bohdan Schneidera, Jindřich Hašekb and Jiří Ječnýb
a Research Institute for Pharmacy and Biochemistry, 130 60 Prague 3
b Institute of Macromolecular Chemistry, Czechoslovak Academy of Sciences, 162 06 Prague 6
Abstract
The crystal and molecular structure of the title compound, C19H21NO5S, M = 375.44, was solved by X-ray structure analysis using diffractometer intensity measurement with CuKα radiation. The space group is P1, with lattice parameters a = 555.7(3), b = 1 697.0(8), c = 1 035.4(4) pm, α = 106.77(4)°, β = 98.19(4)°, γ = 90.64(4)°, V = 923.9(8) . 106 pm3, Z = 2, ρcalc = 1.349 g/cm3, ρm = 1.32 g/cm3. Anisotropic refinement of all nonhydrogen and isotropic refinement of eight hydrogen atoms converged to R = 0.056 and wR = 0.114 for 2 481 observed reflections. Hydrogen bonds O18-H181···O25 and N9-H91···O24i join neighbouring diphenyl sulphide and maleate molecules to linear chains. The parallel chains interact through van der Waals contacts only. Molecules of maleic acid are nearly planar keeping π-electron delocalization. An angle between phenyl rings of the diphenyl sulphide molecule is 80.9(1)° and torsion angles around S-C bonds are 23.2(3)° and 73.6(3)°.
