Molecular cocrystals of carboxylic acids. vi. the crystal structures of the adducts of triphenylphosphine oxide with benzene-1, 3, 5-tricarboxylic acid and (2, 4, 5-trichlorophenoxy)acetic acid

Byriel K.A. and Kennard C.H.L. (1992) Molecular cocrystals of carboxylic acids. vi. the crystal structures of the adducts of triphenylphosphine oxide with benzene-1, 3, 5-tricarboxylic acid and (2, 4, 5-trichlorophenoxy)acetic acid. Australian Journal of Chemistry, 45 5: 835-844. doi:10.1071/CH9920835


Author Byriel K.A.
Kennard C.H.L.
Title Molecular cocrystals of carboxylic acids. vi. the crystal structures of the adducts of triphenylphosphine oxide with benzene-1, 3, 5-tricarboxylic acid and (2, 4, 5-trichlorophenoxy)acetic acid
Journal name Australian Journal of Chemistry   Check publisher's open access policy
ISSN 1445-0038
Publication date 1992-01-01
Sub-type Article (original research)
DOI 10.1071/CH9920835
Open Access Status Not yet assessed
Volume 45
Issue 5
Start page 835
End page 844
Total pages 10
Language eng
Subject 1600 Chemistry
Abstract The crystal structures of the triphenylphosphine oxide adducts with benzene-1, 3, 5-tricarboxylic acid (2: 1) (1) and (2, 4, 5-trichlorophenoxy)acetic acid (1: 1) (2) have been determined and refined to residuals R 0.085 and 0.032 for 2531 and 3348 observed reflections, respectively. Both are triclinic with two heteromeric units in cells of dimensions a 8.66(1), b 13-58(2), c 18.17(3) Å, α 99.12(8), β 101.45(8), γ 107.54(7) º for (1), and a 9.062(6), b 9.726(7), c 15.19(1) Å, α 103.80(4), β 104.94(4), γ 96.42(5)º for (2). In each structure, strong single directed hydrogen bonds are found between the protons of the carboxylic acid donor groups and the triphenylphosphhine oxide acceptors. With (1), only two of the carboxylic acid groups are heteromerically associated [O…O, 2.5O(1), 2.54(1) Å] while the third forms a single intermolecular association [2.61(1) Å]. In the case of (2), a single acid-oxide association is found [O…O, 2.540(3) Å]. The (2, 4, 5-trich1orophenoxy)acetic acid molecule has an antiplanar conformation which contrasts with the synplanar conformation of the parent acid.
Q-Index Code C1
Q-Index Status Provisional Code
Institutional Status Unknown

Document type: Journal Article
Sub-type: Article (original research)
Collection: Scopus Import - Archived
 
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