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Crystal structure and Hirshfeld surface analysis of 4-[4-(1H-benzo[d]imidazol-2-yl)phenoxy]phthalonitrile monohydrate
In the title compound, C(21)H(12)N(4)O·H(2)O, the five-membered ring is essentially planar with a maximum deviation of 0.004 (2) Å. An N—H⋯O hydrogen bond connects the organic and water molecules. In the crystal, O—H⋯N hydrogen bonds link molecules into a two-dimensional network parallel to (100)....
Autores principales: | , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2018
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6038632/ https://www.ncbi.nlm.nih.gov/pubmed/30002901 http://dx.doi.org/10.1107/S2056989018008745 |
Sumario: | In the title compound, C(21)H(12)N(4)O·H(2)O, the five-membered ring is essentially planar with a maximum deviation of 0.004 (2) Å. An N—H⋯O hydrogen bond connects the organic and water molecules. In the crystal, O—H⋯N hydrogen bonds link molecules into a two-dimensional network parallel to (100). Hirshfeld surface analyses and two-dimensional fingerprint plots were used to quantify the intermolecular interactions present in the crystal, indicating that the most important contributions for the crystal packing are from H⋯H (28.7%), C⋯H/H⋯C (27.1%), N⋯H/H⋯N (26.4%), C⋯N/N⋯C (6.1%), O⋯H/H⋯O (3.7%) and C⋯C (6.0%) interactions. |
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