Abstract
The asymmetric unit of the title compound, C9H4S7, contains two independent molecules, in one of which the central five-membered ring is disordered over two orientations in a 0.924 (3):0.076 (3) ratio. The molecular skeleton is almost planar: the average distance of the atoms from their mean plane is 0.128 (7) Å in the ordered molecule, and 0.088 (5) and 0.123 (2) Å in the major and minor disorder components, respectively. The ordered and disordered molecules form separate columns by stacking along the b axis. Adjacent columns interact via short S⋯S [3.33 (2), 3.434 (3), 3.444 (2), 3.503 (2), 3.519 (3) and 3.53 (4) Å] and S⋯H [2.814 (2), 2.87 (7), 2.92 (2), 2.9269 (18), 2.93 (2), 2.94 (2), 2.939 (2), 2.967 (2) and 2.974 (1) Å] contacts.
Highlights
The asymmetric unit of the title compound, C9H4S7, contains two independent molecules, in one of which the central fivemembered ring is disordered over two orientations in a
Through an investigation of the unique molecular arrangements of the derivatives of (I) and (II) in their crystals, we found that the derivatives of (I) are stacked in the same orientation and the derivatives of (II) are alternately stacked in opposite directions (Ueda & Yoza, 2009a, 2009b, 2009c; Ueda et al, 2010)
The S···S and S···H contacts are shown with blue solid lines. (b) Projection of the crystal packing of molecules B and C in (I) down the ac plane
Summary
Refinement a Division of Basic Engineering, Faculty of Engineering, Shizuoka University, Johoku. 3-5-1, Hamamatsu, Shizuoka 432-8561, Japan, bDepartment of Materials Science and Chemical Engineering, Graduate School of Engineering, Shizuoka University, Johoku 3-5-1, Hamamatsu, Shizuoka 432-8561, Japan, and cBruker AXS Co. Ltd, Moriya-cho 3-9, Kanagawa-ku, Kanagawa, Kanagawa 221-0022, Japan. Key indicators: single-crystal X-ray study; T = 93 K; mean (C–C) = 0.009 Å; disorder in main residue; R factor = 0.061; wR factor = 0.107; data-to-parameter ratio = 14.5. The molecular skeleton is almost planar: the average distance of the atoms from their mean plane is 0.128 (7) Å in the ordered molecule, and 0.088 (5) and. The ordered and disordered molecules form separate columns by stacking along the b axis. Adjacent columns interact via short S S [3.33 (2), 3.434 (3), 3.444 (2), 3.503 (2), 3.519 (3) and 3.53 (4) Å] and S H [2.814 (2), 2.87 (7), 2.92 (2), 2.9269 (18), 2.93 (2), 2.94 (2), 2.939 (2), 2.967 (2) and 2.974 (1) Å] contacts
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