C 18 H 13 ClN4O 10 , monoclinic, P21/c (no. 14), a = 21.009(9) Å, b = 9.474(4) Å, c = 9.747(4) Å, β = 98.360(9)°, V = 1919.4(14) Å 3 ,
CCDC no.: 1546072The asymmetric unit of the title crystal structure is shown in the figure. Tables 1 and 2 contain details of the measurement method and a list of the atoms including atomic coordinates and displacement parameters.
Source of materialsHydrothermal reactions were carried out at 393 K for 3 d in a Teflon-lined acid digestion bomb with an internal
The title compound, C13H10ClNS, exhibits a trans conformation with regard to the axis of the C—N bond. The benzene and phenyl rings are inclined to one another by 85.06 (8)°. In the crystal, molecules are linked by N—H⋯S=C hydrogen bonds, forming chains along [001].
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