Methyl 9H-xanthene-9-carboxyl­ate

The title compound, C(15)H(12)O(3), was obtained unintentionally as the by-product of an attempted recrystallization from methanol of propantheline bromide, an anti­muscarinic drug. The xanthone unit is folded, with a dihedral angle of 24.81 (9)° between the benzene rings. The ester substituent adop...

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Detalles Bibliográficos
Autores principales: Dean, Pamela M., Turanjanin, Jelena, MacFarlane, Douglas R.
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2008
Materias:
Organic Papers
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2961166/
https://www.ncbi.nlm.nih.gov/pubmed/21202341
http://dx.doi.org/10.1107/S1600536808005990
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author Dean, Pamela M.
Turanjanin, Jelena
MacFarlane, Douglas R.
author_facet Dean, Pamela M.
Turanjanin, Jelena
MacFarlane, Douglas R.
author_sort Dean, Pamela M.
collection PubMed
description The title compound, C(15)H(12)O(3), was obtained unintentionally as the by-product of an attempted recrystallization from methanol of propantheline bromide, an anti­muscarinic drug. The xanthone unit is folded, with a dihedral angle of 24.81 (9)° between the benzene rings. The ester substituent adopts a trans staggered conformation, with a C—C—O—C torsion angle of 178.4 (1)°. The mol­ecules pack in distinct layers, facilitated by C—H⋯π and weak π–π ring inter­actions. A weak C—H⋯O inter­action also occurs; however, no classical hydrogen bonding is observed.
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spelling pubmed-29611662010-12-30 Methyl 9H-xanthene-9-carboxyl­ate Dean, Pamela M. Turanjanin, Jelena MacFarlane, Douglas R. Acta Crystallogr Sect E Struct Rep Online Organic Papers The title compound, C(15)H(12)O(3), was obtained unintentionally as the by-product of an attempted recrystallization from methanol of propantheline bromide, an anti­muscarinic drug. The xanthone unit is folded, with a dihedral angle of 24.81 (9)° between the benzene rings. The ester substituent adopts a trans staggered conformation, with a C—C—O—C torsion angle of 178.4 (1)°. The mol­ecules pack in distinct layers, facilitated by C—H⋯π and weak π–π ring inter­actions. A weak C—H⋯O inter­action also occurs; however, no classical hydrogen bonding is observed. International Union of Crystallography 2008-04-16 /pmc/articles/PMC2961166/ /pubmed/21202341 http://dx.doi.org/10.1107/S1600536808005990 Text en © Dean et al. 2008 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
Dean, Pamela M.
Turanjanin, Jelena
MacFarlane, Douglas R.
Methyl 9H-xanthene-9-carboxyl­ate
title Methyl 9H-xanthene-9-carboxyl­ate
title_full Methyl 9H-xanthene-9-carboxyl­ate
title_fullStr Methyl 9H-xanthene-9-carboxyl­ate
title_full_unstemmed Methyl 9H-xanthene-9-carboxyl­ate
title_short Methyl 9H-xanthene-9-carboxyl­ate
title_sort methyl 9h-xanthene-9-carboxyl­ate
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2961166/
https://www.ncbi.nlm.nih.gov/pubmed/21202341
http://dx.doi.org/10.1107/S1600536808005990
work_keys_str_mv AT deanpamelam methyl9hxanthene9carboxylate
AT turanjaninjelena methyl9hxanthene9carboxylate
AT macfarlanedouglasr methyl9hxanthene9carboxylate

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