1,1′-(4-Oxoheptane-1,7-diyl)bis(2-methyl-1H-benzimidazole) pentahydrate
Identifieur interne : 000795 ( Ncbi/Merge ); précédent : 000794; suivant : 0007961,1′-(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.
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
Url:
DOI: 10.1107/S1600536807063039
PubMed: 21200708
PubMed Central: 2915212
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<sourceDesc><biblStruct><analytic><title xml:lang="en" level="a" type="main">1,1′-(4-Oxoheptane-1,7-diyl)bis(2-methyl-1<italic>H</italic>
-benzimidazole) pentahydrate</title>
<author><name sortKey="Zhang, Lai Ping" sort="Zhang, Lai Ping" uniqKey="Zhang L" first="Lai-Ping" last="Zhang">Lai-Ping Zhang</name>
<affiliation wicri:level="1"><nlm:aff id="a">Department of Chemistry, Northeast Normal University, Changchun 130024,<country>People’s Republic of China</country>
</nlm:aff>
<country xml:lang="fr">République populaire de Chine</country>
<wicri:regionArea># see nlm:aff country strict</wicri:regionArea>
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<author><name sortKey="Liu, Ying Ying" sort="Liu, Ying Ying" uniqKey="Liu Y" first="Ying-Ying" last="Liu">Ying-Ying Liu</name>
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</nlm:aff>
<country xml:lang="fr">République populaire de Chine</country>
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<author><name sortKey="Jia, Zhi Fang" sort="Jia, Zhi Fang" uniqKey="Jia Z" first="Zhi-Fang" last="Jia">Zhi-Fang Jia</name>
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</nlm:aff>
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<author><name sortKey="Wei, Guo Hua" sort="Wei, Guo Hua" uniqKey="Wei G" first="Guo-Hua" last="Wei">Guo-Hua Wei</name>
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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>
edge sharing of the hexamers, the water clusters thus build infinite chains that stretch parallel to the <italic>a</italic>
axis. The fifth water molecule provides an additional connection between the two hexameric (H<sub>2</sub>
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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-benzimidazole) pentahydrate</title>
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<country xml:lang="fr">République populaire de Chine</country>
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</nlm:aff>
<country xml:lang="fr">République populaire de Chine</country>
<wicri:regionArea># see nlm:aff country strict</wicri:regionArea>
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<country xml:lang="fr">République populaire de Chine</country>
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-benzimidazole) pentahydrate</title>
<author><name sortKey="Zhang, Lai Ping" sort="Zhang, Lai Ping" uniqKey="Zhang L" first="Lai-Ping" last="Zhang">Lai-Ping Zhang</name>
<affiliation wicri:level="1"><nlm:aff id="a">Department of Chemistry, Northeast Normal University, Changchun 130024,<country>People’s Republic of China</country>
</nlm:aff>
<country xml:lang="fr">République populaire de Chine</country>
<wicri:regionArea># see nlm:aff country strict</wicri:regionArea>
</affiliation>
</author>
<author><name sortKey="Liu, Ying Ying" sort="Liu, Ying Ying" uniqKey="Liu Y" first="Ying-Ying" last="Liu">Ying-Ying Liu</name>
<affiliation wicri:level="1"><nlm:aff id="a">Department of Chemistry, Northeast Normal University, Changchun 130024,<country>People’s Republic of China</country>
</nlm:aff>
<country xml:lang="fr">République populaire de Chine</country>
<wicri:regionArea># see nlm:aff country strict</wicri:regionArea>
</affiliation>
</author>
<author><name sortKey="Jia, Zhi Fang" sort="Jia, Zhi Fang" uniqKey="Jia Z" first="Zhi-Fang" last="Jia">Zhi-Fang Jia</name>
<affiliation wicri:level="1"><nlm:aff id="a">Department of Chemistry, Northeast Normal University, Changchun 130024,<country>People’s Republic of China</country>
</nlm:aff>
<country xml:lang="fr">République populaire de Chine</country>
<wicri:regionArea># see nlm:aff country strict</wicri:regionArea>
</affiliation>
</author>
<author><name sortKey="Wei, Guo Hua" sort="Wei, Guo Hua" uniqKey="Wei G" first="Guo-Hua" last="Wei">Guo-Hua Wei</name>
<affiliation wicri:level="1"><nlm:aff id="a">Department of Chemistry, Northeast Normal University, Changchun 130024,<country>People’s Republic of China</country>
</nlm:aff>
<country xml:lang="fr">République populaire de Chine</country>
<wicri:regionArea># see nlm:aff country strict</wicri:regionArea>
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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>
edge sharing of the hexamers, the water clusters thus build infinite chains that stretch parallel to the <italic>a</italic>
axis. The fifth water molecule provides an additional connection between the two hexameric (H<sub>2</sub>
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>
</div>
</front>
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<pubmed><TEI><teiHeader><fileDesc><titleStmt><title xml:lang="en">1,1'-(4-Oxoheptane-1,7-di-yl)bis-(2-methyl-1H-benzimidazole) penta-hydrate.</title>
<author><name sortKey="Zhang, Lai Ping" sort="Zhang, Lai Ping" uniqKey="Zhang L" first="Lai-Ping" last="Zhang">Lai-Ping Zhang</name>
<affiliation wicri:level="1"><nlm:affiliation>Department of Chemistry, Northeast Normal University, Changchun 130024, People's Republic of China.</nlm:affiliation>
<country xml:lang="fr">République populaire de Chine</country>
<wicri:regionArea>Department of Chemistry, Northeast Normal University, Changchun 130024</wicri:regionArea>
<placeName><settlement type="city">Changchun</settlement>
<region type="province">Jilin</region>
<region type="groupement">Dongbei</region>
</placeName>
</affiliation>
</author>
<author><name sortKey="Liu, Ying Ying" sort="Liu, Ying Ying" uniqKey="Liu Y" first="Ying-Ying" last="Liu">Ying-Ying Liu</name>
</author>
<author><name sortKey="Jia, Zhi Fang" sort="Jia, Zhi Fang" uniqKey="Jia Z" first="Zhi-Fang" last="Jia">Zhi-Fang Jia</name>
</author>
<author><name sortKey="Wei, Guo Hua" sort="Wei, Guo Hua" uniqKey="Wei G" first="Guo-Hua" last="Wei">Guo-Hua Wei</name>
</author>
</titleStmt>
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<date when="2007">2007</date>
<idno type="RBID">pubmed:21200708</idno>
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<sourceDesc><biblStruct><analytic><title xml:lang="en">1,1'-(4-Oxoheptane-1,7-di-yl)bis-(2-methyl-1H-benzimidazole) penta-hydrate.</title>
<author><name sortKey="Zhang, Lai Ping" sort="Zhang, Lai Ping" uniqKey="Zhang L" first="Lai-Ping" last="Zhang">Lai-Ping Zhang</name>
<affiliation wicri:level="1"><nlm:affiliation>Department of Chemistry, Northeast Normal University, Changchun 130024, People's Republic of China.</nlm:affiliation>
<country xml:lang="fr">République populaire de Chine</country>
<wicri:regionArea>Department of Chemistry, Northeast Normal University, Changchun 130024</wicri:regionArea>
<placeName><settlement type="city">Changchun</settlement>
<region type="province">Jilin</region>
<region type="groupement">Dongbei</region>
</placeName>
</affiliation>
</author>
<author><name sortKey="Liu, Ying Ying" sort="Liu, Ying Ying" uniqKey="Liu Y" first="Ying-Ying" last="Liu">Ying-Ying Liu</name>
</author>
<author><name sortKey="Jia, Zhi Fang" sort="Jia, Zhi Fang" uniqKey="Jia Z" first="Zhi-Fang" last="Jia">Zhi-Fang Jia</name>
</author>
<author><name sortKey="Wei, Guo Hua" sort="Wei, Guo Hua" uniqKey="Wei G" first="Guo-Hua" last="Wei">Guo-Hua Wei</name>
</author>
</analytic>
<series><title level="j">Acta crystallographica. Section E, Structure reports online</title>
<idno type="ISSN">1600-5368</idno>
<imprint><date when="2007" type="published">2007</date>
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<front><div type="abstract" xml:lang="en">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 mol-ecules in the asymmetric unit. Four of these water mol-ecules are connected with each other via hydrogen-bonding inter-actions to form two types of centrosymmetric hexa-meric (H(2)O)(6) rings. Via edge sharing of the hexa-mers, the water clusters thus build infinite chains that stretch parallel to the a axis. The fifth water mol-ecule provides an additional connection between the two hexa-meric (H(2)O)(6) units via hydrogen bonds to both rings. The water mol-ecules 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 inter-actions [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 mol-ecules complete the inter-molecular inter-actions in this structure.</div>
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