MersV1, Main, Exploration, bibRecord, 002289

2-Oxo-2H-chromen-4-yl 4-methoxybenzoate

Identifieur interne : 002289 ( Main/Exploration ); précédent : 002288; suivant : 002290

2-Oxo-2H-chromen-4-yl 4-methoxybenzoate

Auteurs : Akoun Abou ; Abdoulaye Djandé [Burkina Faso] ; Grégoire Danger [France] ; Adama Saba [Burkina Faso] ; Rita Kakou-Yao

Source :

Acta Crystallographica Section E: Structure Reports Online [ 1600-5368 ] ; 2012.

RBID : PMC:3589019

Abstract

In the title molecule, C₁₇H₁₂O₅, the chromen-2-one ring and the 4-methoxybenzoate side chain are inclined to one another at a dihedral angle of 69.82 (9)°. The crystal structure features parallel sheets of centrosymmetric R₂²(6) dimers joined by a C(7) chain, resulting in centrosymetric tetramers of hydrogen-bonded molecules with graph-set motif R₄⁴(40). These centrosymetric tetramers are connected by a pair of hydrogen bonds described by an R₂²(8) ring motif and a C(7) chain via C—H⋯O interactions. In the structure, there are also π–π stacking interactions between chromene benzene and the six-membered heterocyclic rings [centroid–centroid distance = 3.691 (2) Å] and weak C=O⋯π interactions [O⋯(ring centroid) distance = 3.357 (3) Å].

Url:

http://www.ncbi.nlm.nih.gov/pmc/articles/PMC3589019

DOI: 10.1107/S1600536812047666
PubMed: 23476255
PubMed Central: 3589019

Affiliations:

Burkina Faso, France

Le document en format XML

<record><TEI><teiHeader><fileDesc><titleStmt><title xml:lang="en">2-Oxo-2<italic>H</italic>
-chromen-4-yl 4-methoxybenzoate</title>
<author><name sortKey="Abou, Akoun" sort="Abou, Akoun" uniqKey="Abou A" first="Akoun" last="Abou">Akoun Abou</name>
<affiliation><nlm:aff id="a">Laboratoire de Cristallographie et Physique Moléculaire, UFR SSMT, Université de Cocody, 22 BP 582 Abidjan 22, Côte d’Ivoire</nlm:aff>
<wicri:noCountry code="subfield">Côte d’Ivoire</wicri:noCountry>
</affiliation>
</author>
<author><name sortKey="Djande, Abdoulaye" sort="Djande, Abdoulaye" uniqKey="Djande A" first="Abdoulaye" last="Djandé">Abdoulaye Djandé</name>
<affiliation wicri:level="1"><nlm:aff id="b">Laboratoire de Chimie Bio-organique et de Phytochimie, Université de Ouagadougou, 03 BP 7021 Ouagadougou 03,<country>Burkina Faso</country>
</nlm:aff>
<country xml:lang="fr">Burkina Faso</country>
<wicri:regionArea># see nlm:aff country strict</wicri:regionArea>
</affiliation>
</author>
<author><name sortKey="Danger, Gregoire" sort="Danger, Gregoire" uniqKey="Danger G" first="Grégoire" last="Danger">Grégoire Danger</name>
<affiliation wicri:level="1"><nlm:aff id="c">Laboratoire de Physique des Interactions Ioniques et Moléculaires, Equipe-Spectrométries et Dynamique Moléculaire, Centre Saint Jérôme, Université de Provence, 13397 Marseille,<country>France</country>
</nlm:aff>
<country xml:lang="fr">France</country>
<wicri:regionArea># see nlm:aff country strict</wicri:regionArea>
</affiliation>
</author>
<author><name sortKey="Saba, Adama" sort="Saba, Adama" uniqKey="Saba A" first="Adama" last="Saba">Adama Saba</name>
<affiliation wicri:level="1"><nlm:aff id="b">Laboratoire de Chimie Bio-organique et de Phytochimie, Université de Ouagadougou, 03 BP 7021 Ouagadougou 03,<country>Burkina Faso</country>
</nlm:aff>
<country xml:lang="fr">Burkina Faso</country>
<wicri:regionArea># see nlm:aff country strict</wicri:regionArea>
</affiliation>
</author>
<author><name sortKey="Kakou Yao, Rita" sort="Kakou Yao, Rita" uniqKey="Kakou Yao R" first="Rita" last="Kakou-Yao">Rita Kakou-Yao</name>
<affiliation><nlm:aff id="a">Laboratoire de Cristallographie et Physique Moléculaire, UFR SSMT, Université de Cocody, 22 BP 582 Abidjan 22, Côte d’Ivoire</nlm:aff>
<wicri:noCountry code="subfield">Côte d’Ivoire</wicri:noCountry>
</affiliation>
</author>
</titleStmt>
<publicationStmt><idno type="wicri:source">PMC</idno>
<idno type="pmid">23476255</idno>
<idno type="pmc">3589019</idno>
<idno type="url">http://www.ncbi.nlm.nih.gov/pmc/articles/PMC3589019</idno>
<idno type="RBID">PMC:3589019</idno>
<idno type="doi">10.1107/S1600536812047666</idno>
<date when="2012">2012</date>
<idno type="wicri:Area/Pmc/Corpus">000993</idno>
<idno type="wicri:explorRef" wicri:stream="Pmc" wicri:step="Corpus" wicri:corpus="PMC">000993</idno>
<idno type="wicri:Area/Pmc/Curation">000993</idno>
<idno type="wicri:explorRef" wicri:stream="Pmc" wicri:step="Curation">000993</idno>
<idno type="wicri:Area/Pmc/Checkpoint">001317</idno>
<idno type="wicri:explorRef" wicri:stream="Pmc" wicri:step="Checkpoint">001317</idno>
<idno type="wicri:source">PubMed</idno>
<idno type="RBID">pubmed:23476255</idno>
<idno type="wicri:Area/PubMed/Corpus">001D09</idno>
<idno type="wicri:explorRef" wicri:stream="PubMed" wicri:step="Corpus" wicri:corpus="PubMed">001D09</idno>
<idno type="wicri:Area/PubMed/Curation">001D09</idno>
<idno type="wicri:explorRef" wicri:stream="PubMed" wicri:step="Curation">001D09</idno>
<idno type="wicri:Area/PubMed/Checkpoint">001D18</idno>
<idno type="wicri:explorRef" wicri:stream="Checkpoint" wicri:step="PubMed">001D18</idno>
<idno type="wicri:Area/Ncbi/Merge">000A31</idno>
<idno type="wicri:Area/Ncbi/Curation">000A31</idno>
<idno type="wicri:Area/Ncbi/Checkpoint">000A31</idno>
<idno type="wicri:Area/Main/Merge">002314</idno>
<idno type="wicri:Area/Main/Curation">002289</idno>
<idno type="wicri:Area/Main/Exploration">002289</idno>
</publicationStmt>
<sourceDesc><biblStruct><analytic><title xml:lang="en" level="a" type="main">2-Oxo-2<italic>H</italic>
-chromen-4-yl 4-methoxybenzoate</title>
<author><name sortKey="Abou, Akoun" sort="Abou, Akoun" uniqKey="Abou A" first="Akoun" last="Abou">Akoun Abou</name>
<affiliation><nlm:aff id="a">Laboratoire de Cristallographie et Physique Moléculaire, UFR SSMT, Université de Cocody, 22 BP 582 Abidjan 22, Côte d’Ivoire</nlm:aff>
<wicri:noCountry code="subfield">Côte d’Ivoire</wicri:noCountry>
</affiliation>
</author>
<author><name sortKey="Djande, Abdoulaye" sort="Djande, Abdoulaye" uniqKey="Djande A" first="Abdoulaye" last="Djandé">Abdoulaye Djandé</name>
<affiliation wicri:level="1"><nlm:aff id="b">Laboratoire de Chimie Bio-organique et de Phytochimie, Université de Ouagadougou, 03 BP 7021 Ouagadougou 03,<country>Burkina Faso</country>
</nlm:aff>
<country xml:lang="fr">Burkina Faso</country>
<wicri:regionArea># see nlm:aff country strict</wicri:regionArea>
</affiliation>
</author>
<author><name sortKey="Danger, Gregoire" sort="Danger, Gregoire" uniqKey="Danger G" first="Grégoire" last="Danger">Grégoire Danger</name>
<affiliation wicri:level="1"><nlm:aff id="c">Laboratoire de Physique des Interactions Ioniques et Moléculaires, Equipe-Spectrométries et Dynamique Moléculaire, Centre Saint Jérôme, Université de Provence, 13397 Marseille,<country>France</country>
</nlm:aff>
<country xml:lang="fr">France</country>
<wicri:regionArea># see nlm:aff country strict</wicri:regionArea>
</affiliation>
</author>
<author><name sortKey="Saba, Adama" sort="Saba, Adama" uniqKey="Saba A" first="Adama" last="Saba">Adama Saba</name>
<affiliation wicri:level="1"><nlm:aff id="b">Laboratoire de Chimie Bio-organique et de Phytochimie, Université de Ouagadougou, 03 BP 7021 Ouagadougou 03,<country>Burkina Faso</country>
</nlm:aff>
<country xml:lang="fr">Burkina Faso</country>
<wicri:regionArea># see nlm:aff country strict</wicri:regionArea>
</affiliation>
</author>
<author><name sortKey="Kakou Yao, Rita" sort="Kakou Yao, Rita" uniqKey="Kakou Yao R" first="Rita" last="Kakou-Yao">Rita Kakou-Yao</name>
<affiliation><nlm:aff id="a">Laboratoire de Cristallographie et Physique Moléculaire, UFR SSMT, Université de Cocody, 22 BP 582 Abidjan 22, Côte d’Ivoire</nlm:aff>
<wicri:noCountry code="subfield">Côte d’Ivoire</wicri:noCountry>
</affiliation>
</author>
</analytic>
<series><title level="j">Acta Crystallographica Section E: Structure Reports Online</title>
<idno type="eISSN">1600-5368</idno>
<imprint><date when="2012">2012</date>
</imprint>
</series>
</biblStruct>
</sourceDesc>
</fileDesc>
<profileDesc><textClass></textClass>
</profileDesc>
</teiHeader>
<front><div type="abstract" xml:lang="en"><p>In the title molecule, C<sub>17</sub>
H<sub>12</sub>
O<sub>5</sub>
, the chromen-2-one ring and the 4-methoxybenzoate side chain are inclined to one another at a dihedral angle of 69.82 (9)°. The crystal structure features parallel sheets of centrosymmetric <italic>R</italic>
<sub>2</sub>
<sup>2</sup>
(6) dimers joined by a <italic>C</italic>
(7) chain, resulting in centrosymetric tetramers of hydrogen-bonded molecules with graph-set motif <italic>R</italic>
<sub>4</sub>
<sup>4</sup>
(40). These centrosymetric tetramers are connected by a pair of hydrogen bonds described by an <italic>R</italic>
<sub>2</sub>
<sup>2</sup>
(8) ring motif and a <italic>C</italic>
(7) chain <italic>via</italic>
 C—H⋯O interactions. In the structure, there are also π–π stacking interactions between chromene benzene and the six-membered heterocyclic rings [centroid–centroid distance = 3.691 (2) Å] and weak C=O⋯π interactions [O⋯(ring centroid) distance = 3.357 (3) Å].</p>
</div>
</front>
<back><div1 type="bibliography"><listBibl><biblStruct></biblStruct>
<biblStruct></biblStruct>
<biblStruct></biblStruct>
<biblStruct></biblStruct>
<biblStruct></biblStruct>
<biblStruct></biblStruct>
<biblStruct></biblStruct>
<biblStruct></biblStruct>
<biblStruct></biblStruct>
<biblStruct></biblStruct>
<biblStruct></biblStruct>
<biblStruct></biblStruct>
<biblStruct></biblStruct>
</listBibl>
</div1>
</back>
</TEI>
<affiliations><list><country><li>Burkina Faso</li>
<li>France</li>
</country>
</list>
<tree><noCountry><name sortKey="Abou, Akoun" sort="Abou, Akoun" uniqKey="Abou A" first="Akoun" last="Abou">Akoun Abou</name>
<name sortKey="Kakou Yao, Rita" sort="Kakou Yao, Rita" uniqKey="Kakou Yao R" first="Rita" last="Kakou-Yao">Rita Kakou-Yao</name>
</noCountry>
<country name="Burkina Faso"><noRegion><name sortKey="Djande, Abdoulaye" sort="Djande, Abdoulaye" uniqKey="Djande A" first="Abdoulaye" last="Djandé">Abdoulaye Djandé</name>
</noRegion>
<name sortKey="Saba, Adama" sort="Saba, Adama" uniqKey="Saba A" first="Adama" last="Saba">Adama Saba</name>
</country>
<country name="France"><noRegion><name sortKey="Danger, Gregoire" sort="Danger, Gregoire" uniqKey="Danger G" first="Grégoire" last="Danger">Grégoire Danger</name>
</noRegion>
</country>
</tree>
</affiliations>
</record>

Pour manipuler ce document sous Unix (Dilib)

EXPLOR_STEP=$WICRI_ROOT/Sante/explor/MersV1/Data/Main/Exploration

HfdSelect -h $EXPLOR_STEP/biblio.hfd -nk 002289 | SxmlIndent | more

HfdSelect -h $EXPLOR_AREA/Data/Main/Exploration/biblio.hfd -nk 002289 | SxmlIndent | more

Pour mettre un lien sur cette page dans le réseau Wicri

{{Explor lien
   |wiki=    Sante
   |area=    MersV1
   |flux=    Main
   |étape=   Exploration
   |type=    RBID
   |clé=     PMC:3589019
   |texte=   2-Oxo-2H-chromen-4-yl 4-methoxybenzoate
}}

Pour générer des pages wiki

HfdIndexSelect -h $EXPLOR_AREA/Data/Main/Exploration/RBID.i   -Sk "pubmed:23476255" \
       | HfdSelect -Kh $EXPLOR_AREA/Data/Main/Exploration/biblio.hfd   \
       | NlmPubMed2Wicri -a MersV1

This area was generated with Dilib version V0.6.33.
Data generation: Mon Apr 20 23:26:43 2020. Site generation: Sat Mar 27 09:06:09 2021

Serveur d'exploration MERS

2-Oxo-2H-chromen-4-yl 4-methoxybenzoate

2-Oxo-2H-chromen-4-yl 4-methoxybenzoate

Source :

Abstract

Links toward previous steps (curation, corpus...)

Le document en format XML

Pour manipuler ce document sous Unix (Dilib)

Pour mettre un lien sur cette page dans le réseau Wicri

Pour générer des pages wiki

	Serveur d'exploration MERS
	Attention, ce site est en cours de développement ! Attention, site généré par des moyens informatiques à partir de corpus bruts. Les informations ne sont donc pas validées.

Serveur d'exploration MERS

2-Oxo-2H-chromen-4-yl 4-meth­oxy­benzoate

2-Oxo-2H-chromen-4-yl 4-meth­oxy­benzoate

Source :

Abstract

Links toward previous steps (curation, corpus...)

Le document en format XML

Pour manipuler ce document sous Unix (Dilib)

Pour mettre un lien sur cette page dans le réseau Wicri

Pour générer des pages wiki

2-Oxo-2H-chromen-4-yl 4-methoxybenzoate

2-Oxo-2H-chromen-4-yl 4-methoxybenzoate