1,1'-(4-Oxoheptane-1,7-di-yl)bis-(2-methyl-1H-benzimidazole) penta-hydrate.
Identifieur interne : 002083 ( PubMed/Checkpoint ); précédent : 002082; suivant : 0020841,1'-(4-Oxoheptane-1,7-di-yl)bis-(2-methyl-1H-benzimidazole) penta-hydrate.
Auteurs : Lai-Ping Zhang [République populaire de Chine] ; Ying-Ying Liu ; Zhi-Fang Jia ; Guo-Hua WeiSource :
- Acta crystallographica. Section E, Structure reports online [ 1600-5368 ] ; 2007.
Abstract
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.
DOI: 10.1107/S1600536807063039
PubMed: 21200708
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Section E, Structure reports online</title><idno type="ISSN">1600-5368</idno><imprint><date when="2007" type="published">2007</date></imprint></series></biblStruct></sourceDesc></fileDesc><profileDesc><textClass></textClass></profileDesc></teiHeader><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></front></TEI><pubmed><MedlineCitation Status="PubMed-not-MEDLINE" Owner="NLM"><PMID Version="1">21200708</PMID><DateCompleted><Year>2011</Year><Month>07</Month><Day>14</Day></DateCompleted><DateRevised><Year>2011</Year><Month>12</Month><Day>09</Day></DateRevised><Article PubModel="Electronic"><Journal><ISSN IssnType="Print">1600-5368</ISSN><JournalIssue CitedMedium="Print"><Volume>64</Volume><Issue>Pt 1</Issue><PubDate><Year>2007</Year><Month>Dec</Month><Day>06</Day></PubDate></JournalIssue><Title>Acta crystallographica. Section E, Structure reports online</Title><ISOAbbreviation>Acta Crystallogr Sect E Struct Rep Online</ISOAbbreviation></Journal><ArticleTitle>1,1'-(4-Oxoheptane-1,7-di-yl)bis-(2-methyl-1H-benzimidazole) penta-hydrate.</ArticleTitle><Pagination><MedlinePgn>o143</MedlinePgn></Pagination><ELocationID EIdType="doi" ValidYN="Y">10.1107/S1600536807063039</ELocationID><Abstract><AbstractText>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.</AbstractText></Abstract><AuthorList CompleteYN="Y"><Author ValidYN="Y"><LastName>Zhang</LastName><ForeName>Lai-Ping</ForeName><Initials>LP</Initials><AffiliationInfo><Affiliation>Department of Chemistry, Northeast Normal University, Changchun 130024, People's Republic of China.</Affiliation></AffiliationInfo></Author><Author ValidYN="Y"><LastName>Liu</LastName><ForeName>Ying-Ying</ForeName><Initials>YY</Initials></Author><Author ValidYN="Y"><LastName>Jia</LastName><ForeName>Zhi-Fang</ForeName><Initials>ZF</Initials></Author><Author ValidYN="Y"><LastName>Wei</LastName><ForeName>Guo-Hua</ForeName><Initials>GH</Initials></Author></AuthorList><Language>eng</Language><PublicationTypeList><PublicationType UI="D016428">Journal Article</PublicationType></PublicationTypeList><ArticleDate DateType="Electronic"><Year>2007</Year><Month>12</Month><Day>06</Day></ArticleDate></Article><MedlineJournalInfo><Country>United States</Country><MedlineTA>Acta Crystallogr Sect E Struct Rep Online</MedlineTA><NlmUniqueID>101089178</NlmUniqueID><ISSNLinking>1600-5368</ISSNLinking></MedlineJournalInfo></MedlineCitation><PubmedData><History><PubMedPubDate PubStatus="received"><Year>2007</Year><Month>10</Month><Day>30</Day></PubMedPubDate><PubMedPubDate PubStatus="accepted"><Year>2007</Year><Month>11</Month><Day>25</Day></PubMedPubDate><PubMedPubDate PubStatus="entrez"><Year>2011</Year><Month>1</Month><Day>5</Day><Hour>6</Hour><Minute>0</Minute></PubMedPubDate><PubMedPubDate PubStatus="pubmed"><Year>2007</Year><Month>1</Month><Day>1</Day><Hour>0</Hour><Minute>0</Minute></PubMedPubDate><PubMedPubDate PubStatus="medline"><Year>2007</Year><Month>1</Month><Day>1</Day><Hour>0</Hour><Minute>1</Minute></PubMedPubDate></History><PublicationStatus>epublish</PublicationStatus><ArticleIdList><ArticleId IdType="pubmed">21200708</ArticleId><ArticleId IdType="doi">10.1107/S1600536807063039</ArticleId><ArticleId IdType="pmc">PMC2915212</ArticleId></ArticleIdList></PubmedData></pubmed><affiliations><list><country><li>République populaire de Chine</li></country><region><li>Dongbei</li><li>Jilin</li></region><settlement><li>Changchun</li></settlement></list><tree><noCountry><name sortKey="Jia, Zhi Fang" sort="Jia, Zhi Fang" uniqKey="Jia Z" first="Zhi-Fang" last="Jia">Zhi-Fang Jia</name><name sortKey="Liu, Ying Ying" sort="Liu, Ying Ying" uniqKey="Liu Y" first="Ying-Ying" last="Liu">Ying-Ying Liu</name><name sortKey="Wei, Guo Hua" sort="Wei, Guo Hua" uniqKey="Wei G" first="Guo-Hua" last="Wei">Guo-Hua Wei</name></noCountry><country name="République populaire de Chine"><region name="Jilin"><name sortKey="Zhang, Lai Ping" sort="Zhang, Lai Ping" uniqKey="Zhang L" first="Lai-Ping" last="Zhang">Lai-Ping Zhang</name></region></country></tree></affiliations></record>Pour manipuler ce document sous Unix (Dilib)
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