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4-[1-(4-Cyanobenzyl)-1H-benzimidazol-2-yl]benzonitrile
In the title compound, C(22)H(14)N(4), a new substituted benzimidazole, three intermolecular C—H⋯N interactions link neighbouring molecules into different dimers with R (2) (2)(12), R (2) (2)(8) and R (2) (2)(24) ring motifs. A fourth C—H⋯N interaction links neighbouring molecules along the c a...
Autores principales: | , , |
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Formato: | Texto |
Lenguaje: | English |
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International Union of Crystallography
2009
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2969064/ https://www.ncbi.nlm.nih.gov/pubmed/21582406 http://dx.doi.org/10.1107/S1600536809006989 |
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author | Kia, Reza Fun, Hoong-Kun Kargar, Hadi |
author_facet | Kia, Reza Fun, Hoong-Kun Kargar, Hadi |
author_sort | Kia, Reza |
collection | PubMed |
description | In the title compound, C(22)H(14)N(4), a new substituted benzimidazole, three intermolecular C—H⋯N interactions link neighbouring molecules into different dimers with R (2) (2)(12), R (2) (2)(8) and R (2) (2)(24) ring motifs. A fourth C—H⋯N interaction links neighbouring molecules along the c axis. There is also a short intermolecular contact between the azomethine (C=N) segment of the benzimidazole ring and one of the C atoms of a neighbouring benzene ring [N⋯C = 3.191 (5), C⋯C = 3.364 (6) Å], which links the molecules along the a axis. The two cyanobenzene rings are almost perpendicular to each other, with an interplanar angle of 87.70 (7)°. The dihedral angles between the mean planes of the benzimidazole ring and the two outer benzene rings are 36.27 (16) and 86.70 (16)°. In the crystal structure, molecules are stacked down the a axis with centroid–centroid distances of 3.906 (2)–3.912 (2) Å and interplanar distances of 3.5040 (17) and 3.6235 (17) Å. |
format | Text |
id | pubmed-2969064 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2009 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-29690642010-12-30 4-[1-(4-Cyanobenzyl)-1H-benzimidazol-2-yl]benzonitrile Kia, Reza Fun, Hoong-Kun Kargar, Hadi Acta Crystallogr Sect E Struct Rep Online Organic Papers In the title compound, C(22)H(14)N(4), a new substituted benzimidazole, three intermolecular C—H⋯N interactions link neighbouring molecules into different dimers with R (2) (2)(12), R (2) (2)(8) and R (2) (2)(24) ring motifs. A fourth C—H⋯N interaction links neighbouring molecules along the c axis. There is also a short intermolecular contact between the azomethine (C=N) segment of the benzimidazole ring and one of the C atoms of a neighbouring benzene ring [N⋯C = 3.191 (5), C⋯C = 3.364 (6) Å], which links the molecules along the a axis. The two cyanobenzene rings are almost perpendicular to each other, with an interplanar angle of 87.70 (7)°. The dihedral angles between the mean planes of the benzimidazole ring and the two outer benzene rings are 36.27 (16) and 86.70 (16)°. In the crystal structure, molecules are stacked down the a axis with centroid–centroid distances of 3.906 (2)–3.912 (2) Å and interplanar distances of 3.5040 (17) and 3.6235 (17) Å. International Union of Crystallography 2009-03-06 /pmc/articles/PMC2969064/ /pubmed/21582406 http://dx.doi.org/10.1107/S1600536809006989 Text en © Kia et al. 2009 http://creativecommons.org/licenses/by/2.0/uk/ This is an open-access article distributed under the terms of the Creative Commons Attribution Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited. |
spellingShingle | Organic Papers Kia, Reza Fun, Hoong-Kun Kargar, Hadi 4-[1-(4-Cyanobenzyl)-1H-benzimidazol-2-yl]benzonitrile |
title | 4-[1-(4-Cyanobenzyl)-1H-benzimidazol-2-yl]benzonitrile |
title_full | 4-[1-(4-Cyanobenzyl)-1H-benzimidazol-2-yl]benzonitrile |
title_fullStr | 4-[1-(4-Cyanobenzyl)-1H-benzimidazol-2-yl]benzonitrile |
title_full_unstemmed | 4-[1-(4-Cyanobenzyl)-1H-benzimidazol-2-yl]benzonitrile |
title_short | 4-[1-(4-Cyanobenzyl)-1H-benzimidazol-2-yl]benzonitrile |
title_sort | 4-[1-(4-cyanobenzyl)-1h-benzimidazol-2-yl]benzonitrile |
topic | Organic Papers |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2969064/ https://www.ncbi.nlm.nih.gov/pubmed/21582406 http://dx.doi.org/10.1107/S1600536809006989 |
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