Crystal structure of biphenylenyliodonium[bis(phenylsulphonyl)] methylsulphonylmethylide, C28H21IO6S3

Autor:	G. A. Stergioudis, Constantin A. Kavounis, P. J. Rentzeperis, A. P. Bozopoulos, A. Varvoglis
Rok vydání:	1994
Předmět:	Stereochemistry Dimer Crystal structure Triclinic crystal system Condensed Matter Physics Inorganic Chemistry Crystal chemistry.chemical_compound Crystallography Tetragonal crystal system chemistry Molecule General Materials Science Structural unit Diffractometer
Zdroj:	Zeitschrift für Kristallographie - Crystalline Materials. 209:528-530
ISSN:	2196-7105 2194-4946
DOI:	10.1524/zkri.1994.209.6.528
Popis:	The crystal and molecular structure of the title compound (BPIS hereafter) has been determined from three-dimensional X-ray data, measured on a computer-controlled STOE AED 2 diffractometer. The structure is triclinic Space group P[unk], with a = 8.325(6) Å, b = 11.809(6) Å, c = 13.618(7) Å, α = 105.06(4)°, β = 104.46(5)°, γ = 99.57(5)°, V = 1212.99 Å3, and Z = 2. The structure was solved by Patterson and Fourier syntheses and refined by least-squares calculations to a final R = 0.039 (Rw = 0.039) Two I-Car bonds and two I … O secondary bonds to different sulphonyl groups form a distorted planar tetragonal coordination around the I atom. The structural unit is a dimer formed by two centrosymmetrically related formula units bridged by secondary I … O bonds. A twelve-membered pseudo ring is formed around an inversion centre. Another feature of interest is the delocalization occurring in the carbanion and its planarity.
Databáze:	OpenAIRE
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