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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...

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Detalles Bibliográficos
Autores principales: Zhang, Lai-Ping, Liu, Ying-Ying, Jia, Zhi-Fang, Wei, Guo-Hua
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
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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.
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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
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