2-Oxo-2H-chromen-4-yl 4-meth-oxy-benzoate.
Identifieur interne : 001D18 ( PubMed/Checkpoint ); précédent : 001D17; suivant : 001D192-Oxo-2H-chromen-4-yl 4-meth-oxy-benzoate.
Auteurs : Akoun Abou [Côte d'Ivoire] ; 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
Affiliations:
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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><affiliations><list><country><li>Côte d'Ivoire</li></country></list><tree><noCountry><name sortKey="Danger, Gregoire" sort="Danger, Gregoire" uniqKey="Danger G" first="Grégoire" last="Danger">Grégoire Danger</name><name sortKey="Djande, Abdoulaye" sort="Djande, Abdoulaye" uniqKey="Djande A" first="Abdoulaye" last="Djandé">Abdoulaye Djandé</name><name sortKey="Kakou Yao, Rita" sort="Kakou Yao, Rita" uniqKey="Kakou Yao R" first="Rita" last="Kakou-Yao">Rita Kakou-Yao</name><name sortKey="Saba, Adama" sort="Saba, Adama" uniqKey="Saba A" first="Adama" last="Saba">Adama Saba</name></noCountry><country name="Côte d'Ivoire"><noRegion><name sortKey="Abou, Akoun" sort="Abou, Akoun" uniqKey="Abou A" first="Akoun" last="Abou">Akoun Abou</name></noRegion></country></tree></affiliations></record>Pour manipuler ce document sous Unix (Dilib)
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