Crystal structure and Hirshfeld surface analysis of 4-[4-(1-benzo[]imidazol-2-yl)phen-oxy]phthalo-nitrile dimethyl sulfoxide monosolvate.

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ID: 56908
2019
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Abstract
This work presents the synthesis and structural characterization of [4-(1-benzo[]imidazol-2-yl)phen-oxy]phthalo-nitrile, a phthalo-nitrile derivative carrying a benzimidazole moiety. The compound crystallizes as its dimethyl sulfoxide monosolvate, CHNO·(CH)SO. The dihedral angle between the two fused rings in the heterocyclic ring system is 2.11 (1)°, while the phenyl ring attached to the imidazole moiety is inclined by 20.7 (1)° to the latter. In the crystal structure, adjacent mol-ecules are connected by pairs of weak inter-molecular C-H⋯N hydrogen bonds into inversion dimers. N-H⋯O and C-H⋯O hydrogen bonds with (7) graph-set motifs are also formed between the organic mol-ecule and the disordered dimethyl sulfoxide solvent [occupancy ratio of 0.623 (5):0.377 (5) for the two sites of the sulfur atom]. Hirshfeld surface analysis and fingerprint plots were used to investigate the inter-molecular inter-actions in the crystalline state.
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demir-kanmazalp2019crystalacta Use this key to autocite in the manuscript while using SciMatic Manuscript Manager or Thesis Manager
Authors Demir Kanmazalp, Sibel;Şen, Pınar;Dege, Necmi;Yildiz, Salih Zeki;Ozdemir, Namık;Golenya, Irina A;
Journal acta crystallographica section e: crystallographic communications
Year 2019
DOI
10.1107/S2056989019006510
URL
Keywords
Imidazole crystal structure hydrogen bonds hirshfeld analysis phthalo­nitrile

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