Crystal Structure of 2-Methyl-2-(2, 4, 5-trich1orophenoxy)-propionic Acid

Colin H.L. Kennard; Graham Smith; William L. Duax; Dale C. Swenson

doi:10.1071/CH9822145

Crystal Structure of 2-Methyl-2-(2, 4, 5-trich1orophenoxy)-propionic Acid

Colin H.L. Kennard
, Graham Smith
, William L. Duax
, Dale C. Swenson

Department of Structural Biology

University of Queensland
Queensland University of Technology
Hauptman-Woodward Medical Research Institute, Inc.

Research output: Contribution to journal › Article › peer-review

2 Scopus citations

Abstract

The crystal structure of 2-methyl-2-(2, 4, 5-trichlorophenoxy)propionic acid was determined. C₁₀H₉C1₃03, M_r 283·5, triclinic, P1, a 9·859(2), b 11·542(2), c 6.247(1) Å, α 100 · 13(2), β 97·26(2), 7 114 ·68(2)°, p_c1·52 g cm^-3, Z2, F (000) 288, µ (CuKα) 66.1 cm^-1. It was solved by direct methods and refined to a final R of 0·051 for 1249 observed reflections. The molecules of the acid form the usual hydrogen bonded cyclic dimers [O ··· O, 2. 638(5) Å] and have the synplanar-synplanar (carbonyl) side-chain conformation common to the phenoxyacetic acids and 2-phenoxypropionic acids but different from previous determinations of phenoxyisobutyric acid analogues.

Original language	English
Pages (from-to)	2145-2149
Number of pages	5
Journal	Australian Journal of Chemistry
Volume	35
Issue number	10
DOIs	https://doi.org/10.1071/CH9822145
State	Published - 1982

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@article{0ca5a23aea7e49d795526bc923f4c2ce,

title = "Crystal Structure of 2-Methyl-2-(2, 4, 5-trich1orophenoxy)-propionic Acid",

abstract = "The crystal structure of 2-methyl-2-(2, 4, 5-trichlorophenoxy)propionic acid was determined. C10H9C1303, Mr 283·5, triclinic, P1, a 9·859(2), b 11·542(2), c 6.247(1) {\AA}, α 100 · 13(2), β 97·26(2), 7 114 ·68(2)°, pc1·52 g cm-3, Z2, F (000) 288, µ (CuKα) 66.1 cm-1. It was solved by direct methods and refined to a final R of 0·051 for 1249 observed reflections. The molecules of the acid form the usual hydrogen bonded cyclic dimers [O ··· O, 2. 638(5) {\AA}] and have the synplanar-synplanar (carbonyl) side-chain conformation common to the phenoxyacetic acids and 2-phenoxypropionic acids but different from previous determinations of phenoxyisobutyric acid analogues.",

author = "Kennard, \{Colin H.L.\} and Graham Smith and Duax, \{William L.\} and Swenson, \{Dale C.\}",

year = "1982",

doi = "10.1071/CH9822145",

language = "English",

volume = "35",

pages = "2145--2149",

journal = "Australian Journal of Chemistry",

issn = "0004-9425",

publisher = "CSIRO Publishing ",

number = "10",

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TY - JOUR

T1 - Crystal Structure of 2-Methyl-2-(2, 4, 5-trich1orophenoxy)-propionic Acid

AU - Kennard, Colin H.L.

AU - Smith, Graham

AU - Duax, William L.

AU - Swenson, Dale C.

PY - 1982

Y1 - 1982

N2 - The crystal structure of 2-methyl-2-(2, 4, 5-trichlorophenoxy)propionic acid was determined. C10H9C1303, Mr 283·5, triclinic, P1, a 9·859(2), b 11·542(2), c 6.247(1) Å, α 100 · 13(2), β 97·26(2), 7 114 ·68(2)°, pc1·52 g cm-3, Z2, F (000) 288, µ (CuKα) 66.1 cm-1. It was solved by direct methods and refined to a final R of 0·051 for 1249 observed reflections. The molecules of the acid form the usual hydrogen bonded cyclic dimers [O ··· O, 2. 638(5) Å] and have the synplanar-synplanar (carbonyl) side-chain conformation common to the phenoxyacetic acids and 2-phenoxypropionic acids but different from previous determinations of phenoxyisobutyric acid analogues.

AB - The crystal structure of 2-methyl-2-(2, 4, 5-trichlorophenoxy)propionic acid was determined. C10H9C1303, Mr 283·5, triclinic, P1, a 9·859(2), b 11·542(2), c 6.247(1) Å, α 100 · 13(2), β 97·26(2), 7 114 ·68(2)°, pc1·52 g cm-3, Z2, F (000) 288, µ (CuKα) 66.1 cm-1. It was solved by direct methods and refined to a final R of 0·051 for 1249 observed reflections. The molecules of the acid form the usual hydrogen bonded cyclic dimers [O ··· O, 2. 638(5) Å] and have the synplanar-synplanar (carbonyl) side-chain conformation common to the phenoxyacetic acids and 2-phenoxypropionic acids but different from previous determinations of phenoxyisobutyric acid analogues.

UR - https://www.scopus.com/pages/publications/0020396526

U2 - 10.1071/CH9822145

DO - 10.1071/CH9822145

M3 - Article

AN - SCOPUS:0020396526

SN - 0004-9425

VL - 35

SP - 2145

EP - 2149

JO - Australian Journal of Chemistry

JF - Australian Journal of Chemistry

IS - 10

ER -

Crystal Structure of 2-Methyl-2-(2, 4, 5-trich1orophenoxy)-propionic Acid

Abstract

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