Molecular Structures of Adducts of Benzoyl Isothiocyanate and Hydrazones Determined by the X-Ray Diffraction Method
| Autor: | Haruo Gotoh, Yasuhide Fukutani, Keiichi Fukuyama, Yukiteru Katsube, Iwao Yamamoto, Yukio Okuda, Kumiko Tsukihara |
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| Rok vydání: | 1979 |
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| Zdroj: | Bulletin of the Chemical Society of Japan. 52:2223-2228 |
| ISSN: | 1348-0634 0009-2673 |
| Popis: | X-Ray diffraction analysis was used to establish the molecular structures of some adducts of benzoyl isothiocyanate with hydrazones: benzaldehyde 4-benzoyl-2-phenylthiosemicarbazone (1), 2-benzoylimino-3,5-diphenyl-2,3-dihydro-1,3,4-thiadiazole (2), and 5-benzoylimino-2,2-dimethyl-4-phenyl-1,3,4-thiadiazolidine (3). In adducts 2 and 3, a strong intramolecular interaction between sulfur and carbonyl oxygen atoms has been found. The S…O distance is 2.56 A for 2 and 2.76 A for 3, and the oxygen atom lies approximately in the plane defined by the sulfur atom and the two carbon atoms bonded to the sulfur atom. The absence of a characteristic absorption due to a carbonyl group in the IR spectra of 2 and 3 reflects the intramolecular interaction. The crystal of 1 is triclinic, space group P\barl, with a=12.041, b=8.414, c=11.298 A, α=116.13, β=103.39, γ=103.27°; that of 2 is monoclinic, space group P21/c, with a=20.842, b=3.977, c=21.120 A, β=103.55°; and that of 3 is monoclinic, space group P21 with a=12.559, b... |
| Databáze: | OpenAIRE |
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