t-3-Ethyl-r-2,c-7-bis(4-methoxyphenyl)-1,4-diazepan-5-one
Identifieur interne : 000835 ( Ncbi/Merge ); précédent : 000834; suivant : 000836t-3-Ethyl-r-2,c-7-bis(4-methoxyphenyl)-1,4-diazepan-5-one
Auteurs : K. Ravichandran [Inde] ; P. Ramesh [Inde] ; S. Sethuvasan [Inde] ; S. Ponnuswamy [Inde] ; M. N. Ponnuswamy [Inde]Source :
- Acta Crystallographica Section E: Structure Reports Online [ 1600-5368 ] ; 2009.
Abstract
The title compound, C21H26N2O3, crystallizes with two independent molecules in the asymmetric unit. In both independent molecules, the diazepine ring adopts a chair conformation. In the crystal, the independent molecules exist as N—H⋯O hydrogen-bonded
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DOI: 10.1107/S1600536809043311
PubMed: 21578470
PubMed Central: 2971068
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Ponnuswamy</name><affiliation wicri:level="1"><nlm:aff id="b">Department of Chemistry, Government Arts College (Autonomous), Coimbatore 641 018,<country>India</country></nlm:aff><country xml:lang="fr">Inde</country><wicri:regionArea># see nlm:aff country strict</wicri:regionArea></affiliation></author><author><name sortKey="Ponnuswamy, M N" sort="Ponnuswamy, M N" uniqKey="Ponnuswamy M" first="M. N." last="Ponnuswamy">M. N. Ponnuswamy</name><affiliation wicri:level="1"><nlm:aff id="a">Centre of Advanced Study in Crystallography and Biophysics, University of Madras, Guindy Campus, Chennai 600 025,<country>India</country></nlm:aff><country xml:lang="fr">Inde</country><wicri:regionArea># see nlm:aff country strict</wicri:regionArea></affiliation></author></titleStmt><publicationStmt><idno type="wicri:source">PMC</idno><idno type="pmid">21578470</idno><idno type="pmc">2971068</idno><idno type="url">http://www.ncbi.nlm.nih.gov/pmc/articles/PMC2971068</idno><idno type="RBID">PMC:2971068</idno><idno type="doi">10.1107/S1600536809043311</idno><date when="2009">2009</date><idno type="wicri:Area/Pmc/Corpus">000A03</idno><idno type="wicri:explorRef" wicri:stream="Pmc" wicri:step="Corpus" wicri:corpus="PMC">000A03</idno><idno type="wicri:Area/Pmc/Curation">000A03</idno><idno type="wicri:explorRef" wicri:stream="Pmc" wicri:step="Curation">000A03</idno><idno type="wicri:Area/Pmc/Checkpoint">001384</idno><idno type="wicri:explorRef" wicri:stream="Pmc" wicri:step="Checkpoint">001384</idno><idno type="wicri:source">PubMed</idno><idno type="RBID">pubmed:21578470</idno><idno type="wicri:Area/PubMed/Corpus">002051</idno><idno type="wicri:explorRef" wicri:stream="PubMed" wicri:step="Corpus" wicri:corpus="PubMed">002051</idno><idno type="wicri:Area/PubMed/Curation">002051</idno><idno type="wicri:explorRef" wicri:stream="PubMed" wicri:step="Curation">002051</idno><idno type="wicri:Area/PubMed/Checkpoint">001E69</idno><idno type="wicri:explorRef" wicri:stream="Checkpoint" wicri:step="PubMed">001E69</idno><idno type="wicri:Area/Ncbi/Merge">000835</idno></publicationStmt><sourceDesc><biblStruct><analytic><title xml:lang="en" level="a" type="main"><italic>t</italic>-3-Ethyl-<italic>r</italic>-2,<italic>c</italic>-7-bis(4-methoxyphenyl)-1,4-diazepan-5-one</title><author><name sortKey="Ravichandran, K" sort="Ravichandran, K" uniqKey="Ravichandran K" first="K." last="Ravichandran">K. Ravichandran</name><affiliation wicri:level="1"><nlm:aff id="a">Centre of Advanced Study in Crystallography and Biophysics, University of Madras, Guindy Campus, Chennai 600 025,<country>India</country></nlm:aff><country xml:lang="fr">Inde</country><wicri:regionArea># see nlm:aff country strict</wicri:regionArea></affiliation></author><author><name sortKey="Ramesh, P" sort="Ramesh, P" uniqKey="Ramesh P" first="P." last="Ramesh">P. Ramesh</name><affiliation wicri:level="1"><nlm:aff id="a">Centre of Advanced Study in Crystallography and Biophysics, University of Madras, Guindy Campus, Chennai 600 025,<country>India</country></nlm:aff><country xml:lang="fr">Inde</country><wicri:regionArea># see nlm:aff country strict</wicri:regionArea></affiliation></author><author><name sortKey="Sethuvasan, S" sort="Sethuvasan, S" uniqKey="Sethuvasan S" first="S." last="Sethuvasan">S. Sethuvasan</name><affiliation wicri:level="1"><nlm:aff id="b">Department of Chemistry, Government Arts College (Autonomous), Coimbatore 641 018,<country>India</country></nlm:aff><country xml:lang="fr">Inde</country><wicri:regionArea># see nlm:aff country strict</wicri:regionArea></affiliation></author><author><name sortKey="Ponnuswamy, S" sort="Ponnuswamy, S" uniqKey="Ponnuswamy S" first="S." last="Ponnuswamy">S. Ponnuswamy</name><affiliation wicri:level="1"><nlm:aff id="b">Department of Chemistry, Government Arts College (Autonomous), Coimbatore 641 018,<country>India</country></nlm:aff><country xml:lang="fr">Inde</country><wicri:regionArea># see nlm:aff country strict</wicri:regionArea></affiliation></author><author><name sortKey="Ponnuswamy, M N" sort="Ponnuswamy, M N" uniqKey="Ponnuswamy M" first="M. N." last="Ponnuswamy">M. N. Ponnuswamy</name><affiliation wicri:level="1"><nlm:aff id="a">Centre of Advanced Study in Crystallography and Biophysics, University of Madras, Guindy Campus, Chennai 600 025,<country>India</country></nlm:aff><country xml:lang="fr">Inde</country><wicri:regionArea># see nlm:aff country strict</wicri:regionArea></affiliation></author></analytic><series><title level="j">Acta Crystallographica Section E: Structure Reports Online</title><idno type="eISSN">1600-5368</idno><imprint><date when="2009">2009</date></imprint></series></biblStruct></sourceDesc></fileDesc><profileDesc><textClass></textClass></profileDesc></teiHeader><front><div type="abstract" xml:lang="en"><p>The title compound, C<sub>21</sub>H<sub>26</sub>N<sub>2</sub>O<sub>3</sub>, crystallizes with two independent molecules in the asymmetric unit. In both independent molecules, the diazepine ring adopts a chair conformation. In the crystal, the independent molecules exist as N—H⋯O hydrogen-bonded <italic>R</italic><sub>2</sub><sup>2</sup>(8) dimers which are linked <italic>via</italic> N—H⋯O hydrogen bonds, forming tetramers. The tetramers are linked by C—H⋯O hydrogen bonds. In one of the molecules in the asymmetric unit, the terminal C atom of the ethyl group is disordered over two positions with refined occupancies of 0.742 (4) and 0.258 (4).</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><double pmid="21578470"><pmc><TEI><teiHeader><fileDesc><titleStmt><title xml:lang="en"><italic>t</italic>-3-Ethyl-<italic>r</italic>-2,<italic>c</italic>-7-bis(4-methoxyphenyl)-1,4-diazepan-5-one</title><author><name sortKey="Ravichandran, K" sort="Ravichandran, K" uniqKey="Ravichandran K" first="K." last="Ravichandran">K. Ravichandran</name><affiliation wicri:level="1"><nlm:aff id="a">Centre of Advanced Study in Crystallography and Biophysics, University of Madras, Guindy Campus, Chennai 600 025,<country>India</country></nlm:aff><country xml:lang="fr">Inde</country><wicri:regionArea># see nlm:aff country strict</wicri:regionArea></affiliation></author><author><name sortKey="Ramesh, P" sort="Ramesh, P" uniqKey="Ramesh P" first="P." last="Ramesh">P. Ramesh</name><affiliation wicri:level="1"><nlm:aff id="a">Centre of Advanced Study in Crystallography and Biophysics, University of Madras, Guindy Campus, Chennai 600 025,<country>India</country></nlm:aff><country xml:lang="fr">Inde</country><wicri:regionArea># see nlm:aff country strict</wicri:regionArea></affiliation></author><author><name sortKey="Sethuvasan, S" sort="Sethuvasan, S" uniqKey="Sethuvasan S" first="S." last="Sethuvasan">S. Sethuvasan</name><affiliation wicri:level="1"><nlm:aff id="b">Department of Chemistry, Government Arts College (Autonomous), Coimbatore 641 018,<country>India</country></nlm:aff><country xml:lang="fr">Inde</country><wicri:regionArea># see nlm:aff country strict</wicri:regionArea></affiliation></author><author><name sortKey="Ponnuswamy, S" sort="Ponnuswamy, S" uniqKey="Ponnuswamy S" first="S." last="Ponnuswamy">S. Ponnuswamy</name><affiliation wicri:level="1"><nlm:aff id="b">Department of Chemistry, Government Arts College (Autonomous), Coimbatore 641 018,<country>India</country></nlm:aff><country xml:lang="fr">Inde</country><wicri:regionArea># see nlm:aff country strict</wicri:regionArea></affiliation></author><author><name sortKey="Ponnuswamy, M N" sort="Ponnuswamy, M N" uniqKey="Ponnuswamy M" first="M. N." last="Ponnuswamy">M. N. Ponnuswamy</name><affiliation wicri:level="1"><nlm:aff id="a">Centre of Advanced Study in Crystallography and Biophysics, University of Madras, Guindy Campus, Chennai 600 025,<country>India</country></nlm:aff><country xml:lang="fr">Inde</country><wicri:regionArea># see nlm:aff country strict</wicri:regionArea></affiliation></author></titleStmt><publicationStmt><idno type="wicri:source">PMC</idno><idno type="pmid">21578470</idno><idno type="pmc">2971068</idno><idno type="url">http://www.ncbi.nlm.nih.gov/pmc/articles/PMC2971068</idno><idno type="RBID">PMC:2971068</idno><idno type="doi">10.1107/S1600536809043311</idno><date when="2009">2009</date><idno type="wicri:Area/Pmc/Corpus">000A03</idno><idno type="wicri:explorRef" wicri:stream="Pmc" wicri:step="Corpus" wicri:corpus="PMC">000A03</idno><idno type="wicri:Area/Pmc/Curation">000A03</idno><idno type="wicri:explorRef" wicri:stream="Pmc" wicri:step="Curation">000A03</idno><idno type="wicri:Area/Pmc/Checkpoint">001384</idno><idno type="wicri:explorRef" wicri:stream="Pmc" wicri:step="Checkpoint">001384</idno></publicationStmt><sourceDesc><biblStruct><analytic><title xml:lang="en" level="a" type="main"><italic>t</italic>-3-Ethyl-<italic>r</italic>-2,<italic>c</italic>-7-bis(4-methoxyphenyl)-1,4-diazepan-5-one</title><author><name sortKey="Ravichandran, K" sort="Ravichandran, K" uniqKey="Ravichandran K" first="K." last="Ravichandran">K. Ravichandran</name><affiliation wicri:level="1"><nlm:aff id="a">Centre of Advanced Study in Crystallography and Biophysics, University of Madras, Guindy Campus, Chennai 600 025,<country>India</country></nlm:aff><country xml:lang="fr">Inde</country><wicri:regionArea># see nlm:aff country strict</wicri:regionArea></affiliation></author><author><name sortKey="Ramesh, P" sort="Ramesh, P" uniqKey="Ramesh P" first="P." last="Ramesh">P. Ramesh</name><affiliation wicri:level="1"><nlm:aff id="a">Centre of Advanced Study in Crystallography and Biophysics, University of Madras, Guindy Campus, Chennai 600 025,<country>India</country></nlm:aff><country xml:lang="fr">Inde</country><wicri:regionArea># see nlm:aff country strict</wicri:regionArea></affiliation></author><author><name sortKey="Sethuvasan, S" sort="Sethuvasan, S" uniqKey="Sethuvasan S" first="S." last="Sethuvasan">S. Sethuvasan</name><affiliation wicri:level="1"><nlm:aff id="b">Department of Chemistry, Government Arts College (Autonomous), Coimbatore 641 018,<country>India</country></nlm:aff><country xml:lang="fr">Inde</country><wicri:regionArea># see nlm:aff country strict</wicri:regionArea></affiliation></author><author><name sortKey="Ponnuswamy, S" sort="Ponnuswamy, S" uniqKey="Ponnuswamy S" first="S." last="Ponnuswamy">S. Ponnuswamy</name><affiliation wicri:level="1"><nlm:aff id="b">Department of Chemistry, Government Arts College (Autonomous), Coimbatore 641 018,<country>India</country></nlm:aff><country xml:lang="fr">Inde</country><wicri:regionArea># see nlm:aff country strict</wicri:regionArea></affiliation></author><author><name sortKey="Ponnuswamy, M N" sort="Ponnuswamy, M N" uniqKey="Ponnuswamy M" first="M. N." last="Ponnuswamy">M. N. Ponnuswamy</name><affiliation wicri:level="1"><nlm:aff id="a">Centre of Advanced Study in Crystallography and Biophysics, University of Madras, Guindy Campus, Chennai 600 025,<country>India</country></nlm:aff><country xml:lang="fr">Inde</country><wicri:regionArea># see nlm:aff country strict</wicri:regionArea></affiliation></author></analytic><series><title level="j">Acta Crystallographica Section E: Structure Reports Online</title><idno type="eISSN">1600-5368</idno><imprint><date when="2009">2009</date></imprint></series></biblStruct></sourceDesc></fileDesc><profileDesc><textClass></textClass></profileDesc></teiHeader><front><div type="abstract" xml:lang="en"><p>The title compound, C<sub>21</sub>H<sub>26</sub>N<sub>2</sub>O<sub>3</sub>, crystallizes with two independent molecules in the asymmetric unit. In both independent molecules, the diazepine ring adopts a chair conformation. In the crystal, the independent molecules exist as N—H⋯O hydrogen-bonded <italic>R</italic><sub>2</sub><sup>2</sup>(8) dimers which are linked <italic>via</italic> N—H⋯O hydrogen bonds, forming tetramers. The tetramers are linked by C—H⋯O hydrogen bonds. In one of the molecules in the asymmetric unit, the terminal C atom of the ethyl group is disordered over two positions with refined occupancies of 0.742 (4) and 0.258 (4).</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></pmc><pubmed><TEI><teiHeader><fileDesc><titleStmt><title xml:lang="en">t-3-Ethyl-r-2,c-7-bis-(4-methoxy-phen-yl)-1,4-diazepan-5-one.</title><author><name sortKey="Ravichandran, K" sort="Ravichandran, K" uniqKey="Ravichandran K" first="K" last="Ravichandran">K. Ravichandran</name></author><author><name sortKey="Ramesh, P" sort="Ramesh, P" uniqKey="Ramesh P" first="P" last="Ramesh">P. Ramesh</name></author><author><name sortKey="Sethuvasan, S" sort="Sethuvasan, S" uniqKey="Sethuvasan S" first="S" last="Sethuvasan">S. Sethuvasan</name></author><author><name sortKey="Ponnuswamy, S" sort="Ponnuswamy, S" uniqKey="Ponnuswamy S" first="S" last="Ponnuswamy">S. Ponnuswamy</name></author><author><name sortKey="Ponnuswamy, M N" sort="Ponnuswamy, M N" uniqKey="Ponnuswamy M" first="M N" last="Ponnuswamy">M N Ponnuswamy</name></author></titleStmt><publicationStmt><idno type="wicri:source">PubMed</idno><date when="2009">2009</date><idno type="RBID">pubmed:21578470</idno><idno type="pmid">21578470</idno><idno type="doi">10.1107/S1600536809043311</idno><idno type="wicri:Area/PubMed/Corpus">002051</idno><idno type="wicri:explorRef" wicri:stream="PubMed" wicri:step="Corpus" wicri:corpus="PubMed">002051</idno><idno type="wicri:Area/PubMed/Curation">002051</idno><idno type="wicri:explorRef" wicri:stream="PubMed" wicri:step="Curation">002051</idno><idno type="wicri:Area/PubMed/Checkpoint">001E69</idno><idno type="wicri:explorRef" wicri:stream="Checkpoint" wicri:step="PubMed">001E69</idno></publicationStmt><sourceDesc><biblStruct><analytic><title xml:lang="en">t-3-Ethyl-r-2,c-7-bis-(4-methoxy-phen-yl)-1,4-diazepan-5-one.</title><author><name sortKey="Ravichandran, K" sort="Ravichandran, K" uniqKey="Ravichandran K" first="K" last="Ravichandran">K. Ravichandran</name></author><author><name sortKey="Ramesh, P" sort="Ramesh, P" uniqKey="Ramesh P" first="P" last="Ramesh">P. Ramesh</name></author><author><name sortKey="Sethuvasan, S" sort="Sethuvasan, S" uniqKey="Sethuvasan S" first="S" last="Sethuvasan">S. Sethuvasan</name></author><author><name sortKey="Ponnuswamy, S" sort="Ponnuswamy, S" uniqKey="Ponnuswamy S" first="S" last="Ponnuswamy">S. Ponnuswamy</name></author><author><name sortKey="Ponnuswamy, M N" sort="Ponnuswamy, M N" uniqKey="Ponnuswamy M" first="M N" last="Ponnuswamy">M N Ponnuswamy</name></author></analytic><series><title level="j">Acta crystallographica. Section E, Structure reports online</title><idno type="ISSN">1600-5368</idno><imprint><date when="2009" type="published">2009</date></imprint></series></biblStruct></sourceDesc></fileDesc><profileDesc><textClass></textClass></profileDesc></teiHeader><front><div type="abstract" xml:lang="en">The title compound, C(21)H(26)N(2)O(3), crystallizes with two independent mol-ecules in the asymmetric unit. In both independent mol-ecules, the diazepine ring adopts a chair conformation. In the crystal, the independent mol-ecules exist as N-H⋯O hydrogen-bonded R(2) (2)(8) dimers which are linked via N-H⋯O hydrogen bonds, forming tetra-mers. The tetra-mers are linked by C-H⋯O hydrogen bonds. In one of the molecules in the asymmetric unit, the terminal C atom of the ethyl group is disordered over two positions with refined occupancies of 0.742 (4) and 0.258 (4).</div></front></TEI></pubmed></double></record>Pour manipuler ce document sous Unix (Dilib)
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