The crystal and molecular structure of 4,8,9,10-tetrachloro-2,6-dithiaadamantane, C8H8Cl4S2*
Abstract
4,8,9,10-Tetrachloro-2,6-dithiaadamantane, C8H8Cl4S2, crystallizes in the monoclinic space group P21/c with unit-cell dimensions a = 7.597 ± 0.010, b = 13.311 ± 0.013, c = 12.771 ± 0.015 Å and β = 118.26° ± 0.09°. There are four molecules in the unit cell.
The phase problem was solved by the interpretation of three-dimensional Patterson functions. The final atomic and thermal parameters were obtained by the least-squares refinement. The molecule has an adamantane cage structure and symmetry [unk] along the line connecting two sulfur atoms. The mean lengths of the C–S, the C–C and the C–Cl bonds are 1.82, 1.52 and 1.84 Å respectively. The average bond angle around the sulfur atoms is 96.4° and that around the carbon atoms is almost tetrahedral. Each molecule is surrounded, with van der Waals contacts, by six adjacent molecules.
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- The crystal and molecular structure of 4,8,9,10-tetrachloro-2,6-dithiaadamantane, C8H8Cl4S2*
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Articles in the same Issue
- Some conditional distributions of the structure factors and related conditional expectation values
- γ Na2BeF4, its crystal structure at 25° and 74°C and its anisotropic thermal expansion
- Crystal structure and hydrogen bonding of copiapite
- The crystal and molecular structure of 4,8,9,10-tetrachloro-2,6-dithiaadamantane, C8H8Cl4S2*
- Wirkungsbereichstypen einer verzerrten Diamantkonfiguration mit Kugelpackungscharakter
- The application of the partial Patterson method and the thirteenfold hexagonal superstructure of Cu7As6Se13
- The investigation of superstructures by means of partial Patterson functions
- Die Kristallstruktur von Strontiumnitrat-Tetrahydrat, Sr(NO3)2 · 4H2O
- Bemerkungen zur Geschichte der Raumgruppen-Symbole von Fedorow, Schoenflies und Hermann-Mauguin*
- Structure refinement of anthrone, C14H10O
