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A monoclinic polymorph of theophylline
KTH, School of Chemical Science and Engineering (CHE), Chemical Engineering and Technology, Transport Phenomena.
KTH, School of Chemical Science and Engineering (CHE), Chemistry, Inorganic Chemistry.
2011 (English)In: Acta Crystallographica Section E: Structure Reports Online, ISSN 1600-5368, E-ISSN 1600-5368, Vol. 67, no 12, O3357- p.Article in journal (Refereed) Published
Abstract [en]

A monoclinic polymorph of theophylline, C(7)H(8)N(4)O(2), has been obtained from a chloroform/methanol mixture by evaporation under ambient conditions. The new polymorph crystallizes with two molecules in the asymmetric unit. The structure features intermolecular N-H center dot center dot center dot O hydrogen bonds, resulting in the formation of dimers between two crystallographically different molecules; each molecule acts as both donor and acceptor.

Place, publisher, year, edition, pages
2011. Vol. 67, no 12, O3357- p.
National Category
Chemical Sciences
Identifiers
URN: urn:nbn:se:kth:diva-75546DOI: 10.1107/S1600536811047532ISI: 000298795500102Scopus ID: 2-s2.0-83155190446OAI: oai:DiVA.org:kth-75546DiVA: diva2:490733
Funder
Swedish Research Council
Note
QC 20120206Available from: 2012-02-06 Created: 2012-02-06 Last updated: 2017-12-08Bibliographically approved

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