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4-Oxocyclohexaneacetic acid: catemeric hydrogen bonding and spontaneous resolution of a single conformational enantiomer in an achiral ∊-keto acid

Autor: Hugh W. Thompson, Roger A. Lalancette, Andrew P. J. Brunskill, Alan Barcon

Publikováno v: Acta Crystallographica Section E, Vol 66, Iss 10, Pp o2576-o2577 (2010)

The asymmetric unit of the title compound, C8H12O3, consists of a single conformational enantiomer, which aggregates in the catemeric acid-to-ketone hydrogen-bonding mode [O...O = 2.682 (4) Å and O—H...O = 172 (6)°]. Four hydrogen-bonding chains

Externí odkaz: https://doaj.org/article/179f4d094bc443ab8ab26099e388dd68

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(+)-trans-Pinononic acid: hydrogen-bonding patterns in a non-racemic δ-keto acid

Autor: Roger A. Lalancette, Hugh W. Thompson, Andrew P. J. Brunskill, Alan Barcon

Publikováno v: Acta Crystallographica Section C Crystal Structure Communications. 55:1899-1902

The title keto acid, (+)-trans-3-acetyl-2,2-dimethylcyclobutanecarboxylic acid, C 9 H 14 O 3 , derived from (-)-verbenone, aggregates in the solid as helical acid-to-ketone hydrogen-bonding chains extending in the b-cell direction [O...O = 2.711 (3)

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::4ebf58f7dbd804f7a85bd86b0ede2782
https://doi.org/10.1107/s0108270199010380

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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

Publikováno v: Acta Crystallographica Section C Crystal Structure Communications. 54:1282-1285

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.

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::d5126b3c43b157322ef6b4b063484a26
https://doi.org/10.1107/s0108270198004740

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2,4,5-Trimethylbenzoic Acid

Autor: Alan Barcon, Marie L. Coté, Roger A. Lalancette, Andrew P. J. Brunskill, Hugh W. Thompson

Publikováno v: Acta Crystallographica Section C Crystal Structure Communications. 53:1842-1845

The X-ray structure of the title compound, C10H12O2, has been determined. The carboxyl and its o-methyl group display typical evasive in-plane splaying away from each other. The carboxyl is coplanar with the benzene ring and displays some minor disor

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::4c9b112e0d7154a92f13eff419572747
https://doi.org/10.1107/s0108270197009335

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({\bf \pm})-3-Oxocyclohexanecarboxylic and -acetic acids: contrasting hydrogen-bonding patterns in two homologous keto acids

Autor: Roger A. Lalancette, Andrew P. J. Brunskill, Hugh W. Thompson, Alan Barcon

Publikováno v: Acta Crystallographica Section C Crystal Structure Communications. 58:o154-o156

The crystal structures for the title compounds reveal fundamentally different hydrogen-bonding patterns. (+/-)-3-Oxocyclohexanecarboxylic acid, C(7)H(10)O(3), displays acid-to-ketone catemers having a glide relationship for successive components of t

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::74ce465ad91472ec873dc1b3479a2559
https://doi.org/10.1107/s0108270101020595

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4-Oxocyclo-hexa-neacetic acid: catemeric hydrogen bonding and spontaneous resolution of a single conformational enanti-omer in an achiral ∊-keto acid

Autor: Andrew P. J. Brunskill, Hugh W. Thompson, Roger A. Lalancette, Alan Barcon

Publikováno v: Acta Crystallographica Section E: Structure Reports

The asymmetric unit of the title compound, C8H12O3, consists of a single conformational enantiomer, which aggregates in the catemeric acid-to-ketone hydrogen-bonding mode [O⋯O = 2.682 (4) A and O—H⋯O = 172 (6)°]. Four hydrogen-bonding chains

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::b604951754492d80577d18de53e7845c
https://pubmed.ncbi.nlm.nih.gov/21587559

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4-Oxocyclohexanecarboxylic acid: hydrogen bonding in the monohydrate of a delta-keto acid

Autor: Roger A. Lalancette, Alan Barcon, Andrew P. J. Brunskill, Hugh W. Thompson

Publikováno v: Acta crystallographica. Section C, Crystal structure communications. 60(Pt 2)

The title monohydrate, C(7)H(10)O(3).H(2)O, aggregates as a complex hydrogen-bonding network, in which the water molecule accepts a hydrogen bond from the carboxyl group of one molecule and donates hydrogen bonds to ketone and carboxyl C=O functions

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::54609ca3fe7f41ffbca3a40988a35b1f
https://pubmed.ncbi.nlm.nih.gov/14767139

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(+/-)-1-Tetralone-3-carboxylic acid and (+/-)-1-tetralone-2-acetic acid: hydrogen bonding in two gamma-keto acids

Autor: Alan Barcon, Allan J. Miller, Roger A. Lalancette, Hugh W. Thompson, Andrew P. J. Brunskill

Publikováno v: Acta crystallographica. Section C, Crystal structure communications. 57(Pt 3)

The crystal structure of (+/-)-4-oxo-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid (C(11)H(10)O(3)) involves projection of the carboxyl group nearly orthogonal to the aromatic plane and hydrogen bonding of the acid groups by centrosymmetric pairing

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::c28a5da9add273d858de96050965ceb8
https://pubmed.ncbi.nlm.nih.gov/11250596

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