Cargando…
1,1′-(4-Oxoheptane-1,7-diyl)bis(2-methyl-1H-benzimidazole) pentahydrate
The title compound, C(23)H(26)N(4)O·5H(2)O, has noncrystallographic twofold rotation symmetry in the solid state. It crystallizes with five solvent water molecules in the asymmetric unit. Four of these water molecules are connected with each other via hydrogen-bonding interactions to form two typ...
Autores principales: | , , , |
---|---|
Formato: | Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2007
|
Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2915212/ https://www.ncbi.nlm.nih.gov/pubmed/21200708 http://dx.doi.org/10.1107/S1600536807063039 |
_version_ | 1782184887023828992 |
---|---|
author | Zhang, Lai-Ping Liu, Ying-Ying Jia, Zhi-Fang Wei, Guo-Hua |
author_facet | Zhang, Lai-Ping Liu, Ying-Ying Jia, Zhi-Fang Wei, Guo-Hua |
author_sort | Zhang, Lai-Ping |
collection | PubMed |
description | The title compound, C(23)H(26)N(4)O·5H(2)O, has noncrystallographic twofold rotation symmetry in the solid state. It crystallizes with five solvent water molecules in the asymmetric unit. Four of these water molecules are connected with each other via hydrogen-bonding interactions to form two types of centrosymmetric hexameric (H(2)O)(6) rings. Via edge sharing of the hexamers, the water clusters thus build infinite chains that stretch parallel to the a axis. The fifth water molecule provides an additional connection between the two hexameric (H(2)O)(6) units via hydrogen bonds to both rings. The water molecules in the channels along the a axis are also bonded via O—H⋯N hydrogen bonds to the organic units, and face-to-face π–π interactions [with centroid-to-centroid distances of 3.656 (1) Å and average face-to-face distances of 3.431 (5) Å] between the aromatic rings of adjacent molecules complete the intermolecular interactions in this structure. |
format | Text |
id | pubmed-2915212 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2007 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-29152122010-12-30 1,1′-(4-Oxoheptane-1,7-diyl)bis(2-methyl-1H-benzimidazole) pentahydrate Zhang, Lai-Ping Liu, Ying-Ying Jia, Zhi-Fang Wei, Guo-Hua Acta Crystallogr Sect E Struct Rep Online Organic Papers The title compound, C(23)H(26)N(4)O·5H(2)O, has noncrystallographic twofold rotation symmetry in the solid state. It crystallizes with five solvent water molecules in the asymmetric unit. Four of these water molecules are connected with each other via hydrogen-bonding interactions to form two types of centrosymmetric hexameric (H(2)O)(6) rings. Via edge sharing of the hexamers, the water clusters thus build infinite chains that stretch parallel to the a axis. The fifth water molecule provides an additional connection between the two hexameric (H(2)O)(6) units via hydrogen bonds to both rings. The water molecules in the channels along the a axis are also bonded via O—H⋯N hydrogen bonds to the organic units, and face-to-face π–π interactions [with centroid-to-centroid distances of 3.656 (1) Å and average face-to-face distances of 3.431 (5) Å] between the aromatic rings of adjacent molecules complete the intermolecular interactions in this structure. International Union of Crystallography 2007-12-06 /pmc/articles/PMC2915212/ /pubmed/21200708 http://dx.doi.org/10.1107/S1600536807063039 Text en © International Union of Crystallography 2008 http://journals.iucr.org/services/termsofuse.html This is an open-access article distributed under the terms described at http://journals.iucr.org/services/termsofuse.html. |
spellingShingle | Organic Papers Zhang, Lai-Ping Liu, Ying-Ying Jia, Zhi-Fang Wei, Guo-Hua 1,1′-(4-Oxoheptane-1,7-diyl)bis(2-methyl-1H-benzimidazole) pentahydrate |
title | 1,1′-(4-Oxoheptane-1,7-diyl)bis(2-methyl-1H-benzimidazole) pentahydrate |
title_full | 1,1′-(4-Oxoheptane-1,7-diyl)bis(2-methyl-1H-benzimidazole) pentahydrate |
title_fullStr | 1,1′-(4-Oxoheptane-1,7-diyl)bis(2-methyl-1H-benzimidazole) pentahydrate |
title_full_unstemmed | 1,1′-(4-Oxoheptane-1,7-diyl)bis(2-methyl-1H-benzimidazole) pentahydrate |
title_short | 1,1′-(4-Oxoheptane-1,7-diyl)bis(2-methyl-1H-benzimidazole) pentahydrate |
title_sort | 1,1′-(4-oxoheptane-1,7-diyl)bis(2-methyl-1h-benzimidazole) pentahydrate |
topic | Organic Papers |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2915212/ https://www.ncbi.nlm.nih.gov/pubmed/21200708 http://dx.doi.org/10.1107/S1600536807063039 |
work_keys_str_mv | AT zhanglaiping 114oxoheptane17diylbis2methyl1hbenzimidazolepentahydrate AT liuyingying 114oxoheptane17diylbis2methyl1hbenzimidazolepentahydrate AT jiazhifang 114oxoheptane17diylbis2methyl1hbenzimidazolepentahydrate AT weiguohua 114oxoheptane17diylbis2methyl1hbenzimidazolepentahydrate |