3-Oxo-1-cyclohexene-1-carboxylic Acid: Catemeric Hydrogen Bonding and Flexional Ring Disorder in a γ-Keto Acid

Autor:	Roger A. Lalancette, Hugh W. Thompson, Alan Barcon, Andrew P. J. Brunskill
Rok vydání:	1998
Předmět:	chemistry.chemical_classification Ketone Hydrogen bond Stereochemistry Carboxylic acid Intermolecular force Cyclohexene General Medicine Crystal structure Ring (chemistry) General Biochemistry Genetics and Molecular Biology chemistry.chemical_compound Crystallography chemistry Molecule
Zdroj:	Acta Crystallographica Section C Crystal Structure Communications. 54:1282-1285
ISSN:	0108-2701
DOI:	10.1107/s0108270198004740
Popis:	The crystal structure of 3-oxo-1-cyclohexene-1-carboxylic acid, C 7 H 8 O 3 , involves hydrogen-bonding catemers of an unusual type. Hydrogen bonds progress from the carboxyl H atom of one molecule to the ketone O atom of a glide-related molecule [O...O 2.703 (2) A], resulting in heterochiral chains. Parallel counterdirectional pairs of hydrogen-bonding chains proceed through the chosen cell. There are mutual close contacts of 2.65 A between the ketone O and vinyl H atoms of centrosymmetrically related chains. Two of the tetrahedral C atoms of the molecule are flexionally disordered, and three of their associated H atoms show attractive intermolecular close contacts to O atoms.
Databáze:	OpenAIRE
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