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- Title
Crystal structures and FT-IR spectra of three N,N-dicyclohexylmethylammonium halides C<sub>13</sub>H<sub>26</sub>N<sup>+</sup>X<sup>−</sup> (X = Cl, Br, I).
- Authors
Fäth, Sebastian; Vilsmeier, Max; Pfitzner, Arno
- Abstract
The title compounds C13H26N+Cl− (N,N-dicyclohexylmethylammonium chloride), C13H26N+Br− (N,N- dicyclohexylmethylammonium bromide) and C13H26N+I− (N,N-dicyclohexylmethylammonium iodide) are isostructural and crystallize in the orthorhombic space group Pna21 with the lattice parameters a=7.580(1), b=19.072(1), c=9.165(1) Å, V=1324.9(1) Å3 for X=Cl, a=7.765(1), b=19.054(1), c=9.270(1) Å, V=1371.5(1) Å3 for X=Br, and a=8.102(1), b=19.084(1), c=9.535(1) Å, V=1474.2(1) Å3 for X=I with Z=4 for each compound. Their cyclohexyl groups are aligned along [010] while their halide ions are coordinated along [100] by a strong linear N–H···X (X=Cl, Br, I) hydrogen bond. Fourier-transform infrared spectra show a decreasing hydrogen bond acceptor strength from the chloride to the iodide.
- Subjects
FOURIER transform infrared spectroscopy; CRYSTAL structure; HALIDES; HALOGEN compounds; DENSITY functional theory
- Publication
Zeitschrift für Naturforschung B: A Journal of Chemical Sciences, 2019, Vol 74, Issue 1, p119
- ISSN
0932-0776
- Publication type
Article
- DOI
10.1515/znb-2018-1192