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Crystal structure and Hirshfeld surface analysis of (E)-3-[(4-methylbenzylidene)amino]-5-phenylthiazolidin-2-iminium bromide N,N-dimethylformamide monosolvate
In the cation of the title salt, C(17)H(18)N(3)S(+)·Br(−)·C(3)H(7)NO, the central thiazolidine ring adopts an envelope conformation with puckering parameters Q(2) = 0.310 (3) Å and φ(2) = 42.2 (6)°. In the crystal, each cation is connected to two anions by N—H⋯ Br hydrogen bonds, forming an R (4) (...
Autores principales: | , , , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2020
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7534233/ https://www.ncbi.nlm.nih.gov/pubmed/33117592 http://dx.doi.org/10.1107/S2056989020012712 |
Sumario: | In the cation of the title salt, C(17)H(18)N(3)S(+)·Br(−)·C(3)H(7)NO, the central thiazolidine ring adopts an envelope conformation with puckering parameters Q(2) = 0.310 (3) Å and φ(2) = 42.2 (6)°. In the crystal, each cation is connected to two anions by N—H⋯ Br hydrogen bonds, forming an R (4) (2)(8) motif parallel to the (10[Image: see text]) plane. van der Waals interactions between the cations, anions and N,N-dimethylformamide molecules further stabilize the crystal structure in three dimensions. The most important contributions to the surface contacts are from H⋯H (55.6%), C⋯H/H⋯C (17.9%) and Br⋯H/H⋯Br (7.0%) interactions, as concluded from a Hirshfeld analysis. |
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