Further crystal structures for the substituted aspirin family of molecules: the first aspirin carboxylate catemer and a detailed assessment of the subtle influences of weak intermolecular interactions

Structural data on further examples of substituted acetylsalicylic acid (aspirin) derivatives have revealed additional recurring sub-structure relationships, and have enabled a detailed comparative assessment of the significant involvement of weak intermolecular interactions and shape-related packin...

Full description

Saved in:
Bibliographic Details
Published inCrystEngComm Vol. 13; no. 10; pp. 3390 - 3401
Main Authors Hursthouse, Michael B., Montis, Riccardo, Tizzard, Graham J.
Format Journal Article
LanguageEnglish
Published 01.01.2011
Subjects
Acetylsalicylic acid
Aspirin
Assembly
Assessments
Carboxylates
Crystal structure
Derivatives
Dimers
Online AccessGet full text

Cover

More Information
Summary:Structural data on further examples of substituted acetylsalicylic acid (aspirin) derivatives have revealed additional recurring sub-structure relationships, and have enabled a detailed comparative assessment of the significant involvement of weak intermolecular interactions and shape-related packing features in the crystal structure assembly. Amongst the new structures reported, that of the 6-fluoroacetylysalicylic acid provides the first example of a carboxylate catemer structure in this series of compounds. The catemers are linked together by a number of C-HO interactions and a C-HF interaction. The former set includes the centrosymmetric acetyl dimer, first recognized in the structure of aspirin polymorph I.
Bibliography:ObjectType-Article-2
SourceType-Scholarly Journals-1
ObjectType-Feature-1
content type line 23
ISSN:1466-8033
1466-8033
DOI:10.1039/c0ce00838a