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Crystal and Molecular Structures as well as Spectra of Two Organic Tetrasulfanes R 2 S 4 (R = 2‐benzothiazolyl and 4‐chlorophenyl)
Author(s) -
Steudel Ralf,
Krüger Per,
Florian Ingo,
Kustos Monika
Publication year - 1995
Publication title -
zeitschrift für anorganische und allgemeine chemie
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.354
H-Index - 66
eISSN - 1521-3749
pISSN - 0044-2313
DOI - 10.1002/zaac.19956210621
Subject(s) - monoclinic crystal system , crystallography , van der waals force , molecule , chemistry , raman spectroscopy , intermolecular force , crystal structure , spectral line , infrared spectroscopy , stereochemistry , crystal (programming language) , physics , organic chemistry , programming language , astronomy , computer science , optics
Bis(2‐benzothiazolyl)tetrasulfane prepared from the mercaptane and S 2 Cl 2 crystallizes in the monoclinic space group C 2/ c with a = 3513 pm, b = 577.28 pm, c = 800.0 pm, β = 98.74°, ρ = 1.64 g cm −3 (at 298 K). The molecules are of C 2 symmetry with the geometrical parameters of the S 4 backbone: d ss = 202.7 (terminal) and 207.3 pm (central), α sss = 106.4°, τ ssss = 78.5°. The overall conformation is all ‐ trans . Bis(4‐chlorophenyl)tetrasulfane prepared from the mercaptane and diisopropoxydisulfane crystallizes in the monoclinic space group P 2 1 / a with a = 1237.7 pm, b = 748.4 pm, c = 1623.9 pm, β = 105.58°, ρ = 1.61 g cm −3 (at 298 K). The molecules occupy general positions but are approximately of C 2 symmetry with d ss = 203.6 (terminal), 206.7 (central) and 202.3 pm (terminal), α sss = 107.4° and 108.4°, τ ssss = 75.5° ( all ‐ trans conformation). The intermolecular interactions are of van der Waals type. Infrared, Raman, mass and NMR spectra ( 1 H, 13 C) are reported.