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Methyl 9H-xanthene-9-carboxyl-ate.

ABSTRACT: 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 anti-muscarinic 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 mol-ecules pack in distinct layers, facilitated by C-H?? and weak ?-? ring inter-actions. A weak C-H?O inter-action also occurs; however, no classical hydrogen bonding is observed.

SUBMITTER: Dean PM

PROVIDER: S-EPMC2961166 | biostudies-literature | 2008 Apr

REPOSITORIES: biostudies-literature

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Methyl 9H-xanthene-9-carboxyl-ate.

Dean Pamela M PM Turanjanin Jelena J Macfarlane Douglas R DR

Acta crystallographica. Section E, Structure reports online 20080416 Pt 5

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 anti-muscarinic 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 mol-ecules pack in distinct layers, facilitated by C-H⋯π and weak π-π ring inter-actions. A weak C-H⋯O inter-action a ...[more]

PMID: 21202341

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