MersV1, Main, Exploration, bibRecordById, PMC:2915212

1,1′-(4-Oxoheptane-1,7-diyl)bis(2-methyl-1H-benzimidazole) pentahydrate

Identifieur interne : 002B79 ( Main/Exploration ); précédent : 002B78; suivant : 002B80

1,1′-(4-Oxoheptane-1,7-diyl)bis(2-methyl-1H-benzimidazole) pentahydrate

Auteurs : Lai-Ping Zhang [République populaire de Chine] ; Ying-Ying Liu [République populaire de Chine] ; Zhi-Fang Jia [République populaire de Chine] ; Guo-Hua Wei [République populaire de Chine]

Source :

Acta Crystallographica Section E: Structure Reports Online [ 1600-5368 ] ; 2007.

RBID : PMC:2915212

Abstract

The title compound, C₂₃H₂₆N₄O·5H₂O, 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 (H₂O)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 (H₂O)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.

Url:

http://www.ncbi.nlm.nih.gov/pmc/articles/PMC2915212

DOI: 10.1107/S1600536807063039
PubMed: 21200708
PubMed Central: 2915212

Affiliations:

République populaire de Chine

Le document en format XML

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<front><div type="abstract" xml:lang="en"><p>The title compound, C<sub>23</sub>
H<sub>26</sub>
N<sub>4</sub>
O·5H<sub>2</sub>
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 <italic>via</italic>
 hydrogen-bonding interactions to form two types of centrosymmetric hexameric (H<sub>2</sub>
O)<sub>6</sub>
 rings. <italic>Via</italic>
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O)<sub>6</sub>
 units <italic>via</italic>
 hydrogen bonds to both rings. The water molecules in the channels along the <italic>a</italic>
 axis are also bonded <italic>via</italic>
 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.</p>
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1,1′-(4-Oxoheptane-1,7-diyl)bis(2-methyl-1H-benzimidazole) pentahydrate

1,1′-(4-Oxoheptane-1,7-diyl)bis(2-methyl-1H-benzimidazole) pentahydrate

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Abstract

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1,1′-(4-Oxoheptane-1,7-di­yl)bis­(2-methyl-1H-benzimidazole) penta­hydrate

1,1′-(4-Oxoheptane-1,7-di­yl)bis­(2-methyl-1H-benzimidazole) penta­hydrate

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Abstract

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1,1′-(4-Oxoheptane-1,7-diyl)bis(2-methyl-1H-benzimidazole) pentahydrate

1,1′-(4-Oxoheptane-1,7-diyl)bis(2-methyl-1H-benzimidazole) pentahydrate