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6-[(2E)-3,7-Dimethylocta-2,6-dien-1-yl]-5,7-dihydroxy-8-(2-methylbutanoyl)-4-phenyl-2H-chromen-2-one–6-[(2E)-3,7-dimethylocta-2,6-dien-1-yl]-5,7-dihydroxy-8-(3-methylbutanoyl)-4-phenyl-2H-chromen-2-one (1/1) from Mesua elegans
The title co-crystal, C(30)H(34)O(5)·C(30)H(34)O(5), comprises a 1:1 mixture of two mostly superimposed molecules with the same chemical formula that differ in the nature of the substituent (2-methylbutanoyl or 3-methylbutanoyl) bound at the exocyclic ketone. The lactone ring is close to planar...
Autores principales: | , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2012
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3343921/ https://www.ncbi.nlm.nih.gov/pubmed/22590002 http://dx.doi.org/10.1107/S1600536812008628 |
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author | Chan, Gomathi Awang, Khalijah Ismail, Nor Hadiani Ng, Seik Weng Tiekink, Edward R. T. |
author_facet | Chan, Gomathi Awang, Khalijah Ismail, Nor Hadiani Ng, Seik Weng Tiekink, Edward R. T. |
author_sort | Chan, Gomathi |
collection | PubMed |
description | The title co-crystal, C(30)H(34)O(5)·C(30)H(34)O(5), comprises a 1:1 mixture of two mostly superimposed molecules with the same chemical formula that differ in the nature of the substituent (2-methylbutanoyl or 3-methylbutanoyl) bound at the exocyclic ketone. The lactone ring is close to planar (r.m.s. deviation = 0.058 Å) and the phenyl ring is twisted out of this plane [dihedral angle = 60.08 (9)°]. The geranyl substituent is almost normal to benzene ring to which it is connected [C—C—C(ar)—C(ar) (ar = aromatic) torsion angle = −87.8 (2)°]. Intramolecular O—H⋯O and O—H⋯π interactions are formed. In the crystal, supramolecular chains are formed along the a axis owing to C—H⋯O contacts, with the lactone carbonyl atom accepting two such bonds. |
format | Online Article Text |
id | pubmed-3343921 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2012 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-33439212012-05-15 6-[(2E)-3,7-Dimethylocta-2,6-dien-1-yl]-5,7-dihydroxy-8-(2-methylbutanoyl)-4-phenyl-2H-chromen-2-one–6-[(2E)-3,7-dimethylocta-2,6-dien-1-yl]-5,7-dihydroxy-8-(3-methylbutanoyl)-4-phenyl-2H-chromen-2-one (1/1) from Mesua elegans Chan, Gomathi Awang, Khalijah Ismail, Nor Hadiani Ng, Seik Weng Tiekink, Edward R. T. Acta Crystallogr Sect E Struct Rep Online Organic Papers The title co-crystal, C(30)H(34)O(5)·C(30)H(34)O(5), comprises a 1:1 mixture of two mostly superimposed molecules with the same chemical formula that differ in the nature of the substituent (2-methylbutanoyl or 3-methylbutanoyl) bound at the exocyclic ketone. The lactone ring is close to planar (r.m.s. deviation = 0.058 Å) and the phenyl ring is twisted out of this plane [dihedral angle = 60.08 (9)°]. The geranyl substituent is almost normal to benzene ring to which it is connected [C—C—C(ar)—C(ar) (ar = aromatic) torsion angle = −87.8 (2)°]. Intramolecular O—H⋯O and O—H⋯π interactions are formed. In the crystal, supramolecular chains are formed along the a axis owing to C—H⋯O contacts, with the lactone carbonyl atom accepting two such bonds. International Union of Crystallography 2012-03-03 /pmc/articles/PMC3343921/ /pubmed/22590002 http://dx.doi.org/10.1107/S1600536812008628 Text en © Chan et al. 2012 http://creativecommons.org/licenses/by/2.0/uk/ This is an open-access article distributed under the terms of the Creative Commons Attribution Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited. |
spellingShingle | Organic Papers Chan, Gomathi Awang, Khalijah Ismail, Nor Hadiani Ng, Seik Weng Tiekink, Edward R. T. 6-[(2E)-3,7-Dimethylocta-2,6-dien-1-yl]-5,7-dihydroxy-8-(2-methylbutanoyl)-4-phenyl-2H-chromen-2-one–6-[(2E)-3,7-dimethylocta-2,6-dien-1-yl]-5,7-dihydroxy-8-(3-methylbutanoyl)-4-phenyl-2H-chromen-2-one (1/1) from Mesua elegans |
title | 6-[(2E)-3,7-Dimethylocta-2,6-dien-1-yl]-5,7-dihydroxy-8-(2-methylbutanoyl)-4-phenyl-2H-chromen-2-one–6-[(2E)-3,7-dimethylocta-2,6-dien-1-yl]-5,7-dihydroxy-8-(3-methylbutanoyl)-4-phenyl-2H-chromen-2-one (1/1) from Mesua elegans
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title_full | 6-[(2E)-3,7-Dimethylocta-2,6-dien-1-yl]-5,7-dihydroxy-8-(2-methylbutanoyl)-4-phenyl-2H-chromen-2-one–6-[(2E)-3,7-dimethylocta-2,6-dien-1-yl]-5,7-dihydroxy-8-(3-methylbutanoyl)-4-phenyl-2H-chromen-2-one (1/1) from Mesua elegans
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title_fullStr | 6-[(2E)-3,7-Dimethylocta-2,6-dien-1-yl]-5,7-dihydroxy-8-(2-methylbutanoyl)-4-phenyl-2H-chromen-2-one–6-[(2E)-3,7-dimethylocta-2,6-dien-1-yl]-5,7-dihydroxy-8-(3-methylbutanoyl)-4-phenyl-2H-chromen-2-one (1/1) from Mesua elegans
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title_full_unstemmed | 6-[(2E)-3,7-Dimethylocta-2,6-dien-1-yl]-5,7-dihydroxy-8-(2-methylbutanoyl)-4-phenyl-2H-chromen-2-one–6-[(2E)-3,7-dimethylocta-2,6-dien-1-yl]-5,7-dihydroxy-8-(3-methylbutanoyl)-4-phenyl-2H-chromen-2-one (1/1) from Mesua elegans
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title_short | 6-[(2E)-3,7-Dimethylocta-2,6-dien-1-yl]-5,7-dihydroxy-8-(2-methylbutanoyl)-4-phenyl-2H-chromen-2-one–6-[(2E)-3,7-dimethylocta-2,6-dien-1-yl]-5,7-dihydroxy-8-(3-methylbutanoyl)-4-phenyl-2H-chromen-2-one (1/1) from Mesua elegans
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title_sort | 6-[(2e)-3,7-dimethylocta-2,6-dien-1-yl]-5,7-dihydroxy-8-(2-methylbutanoyl)-4-phenyl-2h-chromen-2-one–6-[(2e)-3,7-dimethylocta-2,6-dien-1-yl]-5,7-dihydroxy-8-(3-methylbutanoyl)-4-phenyl-2h-chromen-2-one (1/1) from mesua elegans |
topic | Organic Papers |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3343921/ https://www.ncbi.nlm.nih.gov/pubmed/22590002 http://dx.doi.org/10.1107/S1600536812008628 |
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