2-Oxo-2H-chromen-4-yl 4-meth-oxy-benzoate.
Identifieur interne : 001D09 ( PubMed/Corpus ); précédent : 001D08; suivant : 001D102-Oxo-2H-chromen-4-yl 4-meth-oxy-benzoate.
Auteurs : Akoun Abou ; Abdoulaye Djandé ; Grégoire Danger ; Adama Saba ; Rita Kakou-YaoSource :
- Acta crystallographica. Section E, Structure reports online [ 1600-5368 ] ; 2012.
Abstract
In the title mol-ecule, C17H12O5, the chromen-2-one ring and the 4-meth-oxy-benzoate side chain are inclined to one another at a dihedral angle of 69.82 (9)°. The crystal structure features parallel sheets of centrosymmetric R2(2)(6) dimers joined by a C(7) chain, resulting in centrosymetric tetra-mers of hydrogen-bonded mol-ecules with graph-set motif R4(4)(40). These centrosymetric tetra-mers are connected by a pair of hydrogen bonds described by an R2(2)(8) ring motif and a C(7) chain via C-H⋯O inter-actions. In the structure, there are also π-π stacking inter-actions between chromene benzene and the six-membered heterocyclic rings [centroid-centroid distance = 3.691 (2) Å] and weak C=O⋯π inter-actions [O⋯(ring centroid) distance = 3.357 (3) Å].
DOI: 10.1107/S1600536812047666
PubMed: 23476255
Links to Exploration step
pubmed:23476255Le document en format XML
<record><TEI><teiHeader><fileDesc><titleStmt><title xml:lang="en">2-Oxo-2H-chromen-4-yl 4-meth-oxy-benzoate.</title>
<author><name sortKey="Abou, Akoun" sort="Abou, Akoun" uniqKey="Abou A" first="Akoun" last="Abou">Akoun Abou</name>
<affiliation><nlm:affiliation>Laboratoire de Cristallographie et Physique Moléculaire, UFR SSMT, Université de Cocody, 22 BP 582 Abidjan 22, Côte d'Ivoire.</nlm:affiliation>
</affiliation>
</author>
<author><name sortKey="Djande, Abdoulaye" sort="Djande, Abdoulaye" uniqKey="Djande A" first="Abdoulaye" last="Djandé">Abdoulaye Djandé</name>
</author>
<author><name sortKey="Danger, Gregoire" sort="Danger, Gregoire" uniqKey="Danger G" first="Grégoire" last="Danger">Grégoire Danger</name>
</author>
<author><name sortKey="Saba, Adama" sort="Saba, Adama" uniqKey="Saba A" first="Adama" last="Saba">Adama Saba</name>
</author>
<author><name sortKey="Kakou Yao, Rita" sort="Kakou Yao, Rita" uniqKey="Kakou Yao R" first="Rita" last="Kakou-Yao">Rita Kakou-Yao</name>
</author>
</titleStmt>
<publicationStmt><idno type="wicri:source">PubMed</idno>
<date when="2012">2012</date>
<idno type="RBID">pubmed:23476255</idno>
<idno type="pmid">23476255</idno>
<idno type="doi">10.1107/S1600536812047666</idno>
<idno type="wicri:Area/PubMed/Corpus">001D09</idno>
<idno type="wicri:explorRef" wicri:stream="PubMed" wicri:step="Corpus" wicri:corpus="PubMed">001D09</idno>
</publicationStmt>
<sourceDesc><biblStruct><analytic><title xml:lang="en">2-Oxo-2H-chromen-4-yl 4-meth-oxy-benzoate.</title>
<author><name sortKey="Abou, Akoun" sort="Abou, Akoun" uniqKey="Abou A" first="Akoun" last="Abou">Akoun Abou</name>
<affiliation><nlm:affiliation>Laboratoire de Cristallographie et Physique Moléculaire, UFR SSMT, Université de Cocody, 22 BP 582 Abidjan 22, Côte d'Ivoire.</nlm:affiliation>
</affiliation>
</author>
<author><name sortKey="Djande, Abdoulaye" sort="Djande, Abdoulaye" uniqKey="Djande A" first="Abdoulaye" last="Djandé">Abdoulaye Djandé</name>
</author>
<author><name sortKey="Danger, Gregoire" sort="Danger, Gregoire" uniqKey="Danger G" first="Grégoire" last="Danger">Grégoire Danger</name>
</author>
<author><name sortKey="Saba, Adama" sort="Saba, Adama" uniqKey="Saba A" first="Adama" last="Saba">Adama Saba</name>
</author>
<author><name sortKey="Kakou Yao, Rita" sort="Kakou Yao, Rita" uniqKey="Kakou Yao R" first="Rita" last="Kakou-Yao">Rita Kakou-Yao</name>
</author>
</analytic>
<series><title level="j">Acta crystallographica. Section E, Structure reports online</title>
<idno type="ISSN">1600-5368</idno>
<imprint><date when="2012" type="published">2012</date>
</imprint>
</series>
</biblStruct>
</sourceDesc>
</fileDesc>
<profileDesc><textClass></textClass>
</profileDesc>
</teiHeader>
<front><div type="abstract" xml:lang="en">In the title mol-ecule, C17H12O5, the chromen-2-one ring and the 4-meth-oxy-benzoate side chain are inclined to one another at a dihedral angle of 69.82 (9)°. The crystal structure features parallel sheets of centrosymmetric R2(2)(6) dimers joined by a C(7) chain, resulting in centrosymetric tetra-mers of hydrogen-bonded mol-ecules with graph-set motif R4(4)(40). These centrosymetric tetra-mers are connected by a pair of hydrogen bonds described by an R2(2)(8) ring motif and a C(7) chain via C-H⋯O inter-actions. In the structure, there are also π-π stacking inter-actions between chromene benzene and the six-membered heterocyclic rings [centroid-centroid distance = 3.691 (2) Å] and weak C=O⋯π inter-actions [O⋯(ring centroid) distance = 3.357 (3) Å].</div>
</front>
</TEI>
<pubmed><MedlineCitation Status="PubMed-not-MEDLINE" Owner="NLM"><PMID Version="1">23476255</PMID>
<DateCompleted><Year>2013</Year>
<Month>03</Month>
<Day>12</Day>
</DateCompleted>
<DateRevised><Year>2018</Year>
<Month>11</Month>
<Day>13</Day>
</DateRevised>
<Article PubModel="Print-Electronic"><Journal><ISSN IssnType="Print">1600-5368</ISSN>
<JournalIssue CitedMedium="Print"><Volume>68</Volume>
<Issue>Pt 12</Issue>
<PubDate><Year>2012</Year>
<Month>Dec</Month>
<Day>01</Day>
</PubDate>
</JournalIssue>
<Title>Acta crystallographica. Section E, Structure reports online</Title>
<ISOAbbreviation>Acta Crystallogr Sect E Struct Rep Online</ISOAbbreviation>
</Journal>
<ArticleTitle>2-Oxo-2H-chromen-4-yl 4-meth-oxy-benzoate.</ArticleTitle>
<Pagination><MedlinePgn>o3438-9</MedlinePgn>
</Pagination>
<ELocationID EIdType="doi" ValidYN="Y">10.1107/S1600536812047666</ELocationID>
<Abstract><AbstractText>In the title mol-ecule, C17H12O5, the chromen-2-one ring and the 4-meth-oxy-benzoate side chain are inclined to one another at a dihedral angle of 69.82 (9)°. The crystal structure features parallel sheets of centrosymmetric R2(2)(6) dimers joined by a C(7) chain, resulting in centrosymetric tetra-mers of hydrogen-bonded mol-ecules with graph-set motif R4(4)(40). These centrosymetric tetra-mers are connected by a pair of hydrogen bonds described by an R2(2)(8) ring motif and a C(7) chain via C-H⋯O inter-actions. In the structure, there are also π-π stacking inter-actions between chromene benzene and the six-membered heterocyclic rings [centroid-centroid distance = 3.691 (2) Å] and weak C=O⋯π inter-actions [O⋯(ring centroid) distance = 3.357 (3) Å].</AbstractText>
</Abstract>
<AuthorList CompleteYN="Y"><Author ValidYN="Y"><LastName>Abou</LastName>
<ForeName>Akoun</ForeName>
<Initials>A</Initials>
<AffiliationInfo><Affiliation>Laboratoire de Cristallographie et Physique Moléculaire, UFR SSMT, Université de Cocody, 22 BP 582 Abidjan 22, Côte d'Ivoire.</Affiliation>
</AffiliationInfo>
</Author>
<Author ValidYN="Y"><LastName>Djandé</LastName>
<ForeName>Abdoulaye</ForeName>
<Initials>A</Initials>
</Author>
<Author ValidYN="Y"><LastName>Danger</LastName>
<ForeName>Grégoire</ForeName>
<Initials>G</Initials>
</Author>
<Author ValidYN="Y"><LastName>Saba</LastName>
<ForeName>Adama</ForeName>
<Initials>A</Initials>
</Author>
<Author ValidYN="Y"><LastName>Kakou-Yao</LastName>
<ForeName>Rita</ForeName>
<Initials>R</Initials>
</Author>
</AuthorList>
<Language>eng</Language>
<PublicationTypeList><PublicationType UI="D016428">Journal Article</PublicationType>
</PublicationTypeList>
<ArticleDate DateType="Electronic"><Year>2012</Year>
<Month>11</Month>
<Day>24</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>2012</Year>
<Month>11</Month>
<Day>08</Day>
</PubMedPubDate>
<PubMedPubDate PubStatus="accepted"><Year>2012</Year>
<Month>11</Month>
<Day>20</Day>
</PubMedPubDate>
<PubMedPubDate PubStatus="entrez"><Year>2013</Year>
<Month>3</Month>
<Day>12</Day>
<Hour>6</Hour>
<Minute>0</Minute>
</PubMedPubDate>
<PubMedPubDate PubStatus="pubmed"><Year>2013</Year>
<Month>3</Month>
<Day>12</Day>
<Hour>6</Hour>
<Minute>0</Minute>
</PubMedPubDate>
<PubMedPubDate PubStatus="medline"><Year>2013</Year>
<Month>3</Month>
<Day>12</Day>
<Hour>6</Hour>
<Minute>1</Minute>
</PubMedPubDate>
</History>
<PublicationStatus>ppublish</PublicationStatus>
<ArticleIdList><ArticleId IdType="pubmed">23476255</ArticleId>
<ArticleId IdType="doi">10.1107/S1600536812047666</ArticleId>
<ArticleId IdType="pii">zs2245</ArticleId>
<ArticleId IdType="pmc">PMC3589019</ArticleId>
</ArticleIdList>
<ReferenceList><Reference><Citation>Acta Crystallogr A. 2008 Jan;64(Pt 1):112-22</Citation>
<ArticleIdList><ArticleId IdType="pubmed">18156677</ArticleId>
</ArticleIdList>
</Reference>
<Reference><Citation>Acta Crystallogr D Biol Crystallogr. 2009 Feb;65(Pt 2):148-55</Citation>
<ArticleIdList><ArticleId IdType="pubmed">19171970</ArticleId>
</ArticleIdList>
</Reference>
<Reference><Citation>Arch Pharm Res. 2010 Jan;33(1):5-15</Citation>
<ArticleIdList><ArticleId IdType="pubmed">20191339</ArticleId>
</ArticleIdList>
</Reference>
</ReferenceList>
</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 001D09 | SxmlIndent | more
Ou
HfdSelect -h $EXPLOR_AREA/Data/PubMed/Corpus/biblio.hfd -nk 001D09 | 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:23476255 |texte= 2-Oxo-2H-chromen-4-yl 4-meth-oxy-benzoate. }}
Pour générer des pages wiki
HfdIndexSelect -h $EXPLOR_AREA/Data/PubMed/Corpus/RBID.i -Sk "pubmed:23476255" \ | HfdSelect -Kh $EXPLOR_AREA/Data/PubMed/Corpus/biblio.hfd \ | NlmPubMed2Wicri -a MersV1
![]() | This area was generated with Dilib version V0.6.33. | ![]() |