1,1'-(4-Oxoheptane-1,7-di-yl)bis-(2-methyl-1H-benzimidazole) penta-hydrate.
Identifieur interne : 002205 ( PubMed/Corpus ); précédent : 002204; suivant : 0022061,1'-(4-Oxoheptane-1,7-di-yl)bis-(2-methyl-1H-benzimidazole) penta-hydrate.
Auteurs : Lai-Ping Zhang ; 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
Links to Exploration step
pubmed:21200708Le document en format XML
<record><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><nlm:affiliation>Department of Chemistry, Northeast Normal University, Changchun 130024, People's Republic of China.</nlm:affiliation>
</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>
<publicationStmt><idno type="wicri:source">PubMed</idno>
<date when="2007">2007</date>
<idno type="RBID">pubmed:21200708</idno>
<idno type="pmid">21200708</idno>
<idno type="doi">10.1107/S1600536807063039</idno>
<idno type="wicri:Area/PubMed/Corpus">002205</idno>
<idno type="wicri:explorRef" wicri:stream="PubMed" wicri:step="Corpus" wicri:corpus="PubMed">002205</idno>
</publicationStmt>
<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><nlm:affiliation>Department of Chemistry, Northeast Normal University, Changchun 130024, People's Republic of China.</nlm:affiliation>
</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>
</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>
</record>
Pour manipuler ce document sous Unix (Dilib)
EXPLOR_STEP=$WICRI_ROOT/Sante/explor/MersV1/Data/PubMed/Corpus
HfdSelect -h $EXPLOR_STEP/biblio.hfd -nk 002205 | SxmlIndent | more
Ou
HfdSelect -h $EXPLOR_AREA/Data/PubMed/Corpus/biblio.hfd -nk 002205 | SxmlIndent | more
Pour mettre un lien sur cette page dans le réseau Wicri
{{Explor lien |wiki= Sante |area= MersV1 |flux= PubMed |étape= Corpus |type= RBID |clé= pubmed:21200708 |texte= 1,1'-(4-Oxoheptane-1,7-di-yl)bis-(2-methyl-1H-benzimidazole) penta-hydrate. }}
Pour générer des pages wiki
HfdIndexSelect -h $EXPLOR_AREA/Data/PubMed/Corpus/RBID.i -Sk "pubmed:21200708" \ | HfdSelect -Kh $EXPLOR_AREA/Data/PubMed/Corpus/biblio.hfd \ | NlmPubMed2Wicri -a MersV1
![]() | This area was generated with Dilib version V0.6.33. | ![]() |