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Quantitative analysis of weak non-covalent interactions in (Z)-3-(4-chlorophenyl)-2-phenylacrylonitrile: insights from PIXEL and Hirshfeld surface analysis
In the solid state, the title compound, C(15)H(10)ClN, is disordered over two orientations with a refined occupancy ratio of 0.86 (2):0.14 (2). The crystal structure is mainly stabilized by intermolecular C—H⋯N and C—H⋯Cl hydrogen bonds, and C—H⋯π interactions. The molecules pack in columns and a...
Autores principales: | , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2019
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6509683/ https://www.ncbi.nlm.nih.gov/pubmed/31161064 http://dx.doi.org/10.1107/S2056989019003694 |
Sumario: | In the solid state, the title compound, C(15)H(10)ClN, is disordered over two orientations with a refined occupancy ratio of 0.86 (2):0.14 (2). The crystal structure is mainly stabilized by intermolecular C—H⋯N and C—H⋯Cl hydrogen bonds, and C—H⋯π interactions. The molecules pack in columns and adjacent columns are linked by weak C—H⋯Cl interactions. The PIXEL energy analysis suggests that the intermolecular C—H⋯π interactions form a strong dimer in the major component. Hirshfeld analysis reveals that H⋯C, H⋯H, H⋯Cl and H⋯N contacts are the most important contributors to the crystal packing. |
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