Gas and crystal structures of CCl2FSCN

Berrueta Martinez Y, Rodriguez Pirani LS, Erben MF, Boese R, Reuter C, Vishnevskiy Y, Mitzel NW, Della Vedova CO (2017)
JOURNAL OF MOLECULAR STRUCTURE 1132: 175-180.

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Zeitschriftenaufsatz | Veröffentlicht | Englisch
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Abstract / Bemerkung
Dichlorofluoromethyl thiocyanate, CCl2FSCN, was structurally studied in the solid and in the gas phase by means of single-crystal X-ray (XRD) and gas electron diffraction (GED), respectively. In the gas phase the title molecule adopts two stable conformers, described by the FC-SC dihedral angle. The gauche conformer (FC bond with respect to the SC bond) is more stable than the anti-conformer. In this work we present the first experimental evidence for the existence of the anti-CF2ClSCN form. In the solid state only the most stable gauche-conformer was found. Intermolecular interactions were detected in the crystal structure and analyzed. A structural comparison of the results with those of related species as CCl2FSCN, CCl3SCN and CH2ClSCN is presented. (C) 2016 Elsevier B.V. All rights reserved.
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Zeitschriftentitel
JOURNAL OF MOLECULAR STRUCTURE
Band
1132
Seite
175-180
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Berrueta Martinez Y, Rodriguez Pirani LS, Erben MF, et al. Gas and crystal structures of CCl2FSCN. JOURNAL OF MOLECULAR STRUCTURE. 2017;1132:175-180.
Berrueta Martinez, Y., Rodriguez Pirani, L. S., Erben, M. F., Boese, R., Reuter, C., Vishnevskiy, Y., Mitzel, N. W., et al. (2017). Gas and crystal structures of CCl2FSCN. JOURNAL OF MOLECULAR STRUCTURE, 1132, 175-180. doi:10.1016/j.molstruc.2016.03.097
Berrueta Martinez, Y., Rodriguez Pirani, L. S., Erben, M. F., Boese, R., Reuter, C., Vishnevskiy, Y., Mitzel, N. W., and Della Vedova, C. O. (2017). Gas and crystal structures of CCl2FSCN. JOURNAL OF MOLECULAR STRUCTURE 1132, 175-180.
Berrueta Martinez, Y., et al., 2017. Gas and crystal structures of CCl2FSCN. JOURNAL OF MOLECULAR STRUCTURE, 1132, p 175-180.
Y. Berrueta Martinez, et al., “Gas and crystal structures of CCl2FSCN”, JOURNAL OF MOLECULAR STRUCTURE, vol. 1132, 2017, pp. 175-180.
Berrueta Martinez, Y., Rodriguez Pirani, L.S., Erben, M.F., Boese, R., Reuter, C., Vishnevskiy, Y., Mitzel, N.W., Della Vedova, C.O.: Gas and crystal structures of CCl2FSCN. JOURNAL OF MOLECULAR STRUCTURE. 1132, 175-180 (2017).
Berrueta Martinez, Yanina, Rodriguez Pirani, Lucas S., Erben, Mauricio F., Boese, Roland, Reuter, Christian, Vishnevskiy, Yury, Mitzel, Norbert W., and Della Vedova, Carlos O. “Gas and crystal structures of CCl2FSCN”. JOURNAL OF MOLECULAR STRUCTURE 1132 (2017): 175-180.