Metal-(phenylthio)alkanoic acid interactions-XII the crystal structure of potassium (4-chloro-2,5-dimethylphenylthio)-acetate-(4-chloro-2,5-dimethylphenylthio)acetic acid adduct

Colin H.L. Kennard; Graham Smith; Thomas C.W. Mak; Wai Hing Yip; Wing hong Chan

doi:10.1016/S0277-5387(00)80349-6

Metal-(phenylthio)alkanoic acid interactions-XII the crystal structure of potassium (4-chloro-2,5-dimethylphenylthio)-acetate-(4-chloro-2,5-dimethylphenylthio)acetic acid adduct

Colin H.L. Kennard^*, Graham Smith, Thomas C.W. Mak, Wai Hing Yip, Wing hong Chan

^*Corresponding author for this work

Department of Chemistry

Research output: Contribution to journal › Journal article › peer-review

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Abstract

The crystal structure of a potassium adduct with a substituted (phenylthio)acetic acid has been determined using X-ray diffraction, and refined to a residual R = 0.043 for 1932 observed reflections. The adduct, [(KL)(LH)]_n, where LH = (4-chloro-2,5-dimethylphenylthio)acetic acid, is triclinic, space group P1̄, Z = 2, a = 7.313(2), b = 9.386(2), c = 17.371(5) Å, α = 77.53(2), β = 79.28(2), γ = 84.95(2)°. The K atom is surrounded by a distorted octahedron comprising five oxygens [KO, 2.691-2.777(3) Å] and one sulphur atom [KS, 3.349(2) Å], with oxygens also bridging in a polymer structure. There are two hydrogen atoms at special positions contributing to the one H⁺. The compound is an example of a type A, [(M⁺)₂(HX₂^-)₂] system, with one hydrogen atom being shared by two crystallographically related X groups. There are two conformationally different (HX₂^-) groups in the structure.

Original language	English
Pages (from-to)	2147-2150
Number of pages	4
Journal	Polyhedron
Volume	8
Issue number	17
DOIs	https://doi.org/10.1016/S0277-5387(00)80349-6
Publication status	Published - 1989

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Physical and Theoretical Chemistry
Inorganic Chemistry
Materials Chemistry

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@article{e63f424d60c24fdc8e868b3049a5a41d,

title = "Metal-(phenylthio)alkanoic acid interactions-XII the crystal structure of potassium (4-chloro-2,5-dimethylphenylthio)-acetate-(4-chloro-2,5-dimethylphenylthio)acetic acid adduct",

abstract = "The crystal structure of a potassium adduct with a substituted (phenylthio)acetic acid has been determined using X-ray diffraction, and refined to a residual R = 0.043 for 1932 observed reflections. The adduct, [(KL)(LH)]n, where LH = (4-chloro-2,5-dimethylphenylthio)acetic acid, is triclinic, space group P{\=1}, Z = 2, a = 7.313(2), b = 9.386(2), c = 17.371(5) {\AA}, α = 77.53(2), β = 79.28(2), γ = 84.95(2)°. The K atom is surrounded by a distorted octahedron comprising five oxygens [KO, 2.691-2.777(3) {\AA}] and one sulphur atom [KS, 3.349(2) {\AA}], with oxygens also bridging in a polymer structure. There are two hydrogen atoms at special positions contributing to the one H+. The compound is an example of a type A, [(M+)2(HX2-)2] system, with one hydrogen atom being shared by two crystallographically related X groups. There are two conformationally different (HX2-) groups in the structure.",

author = "Kennard, {Colin H.L.} and Graham Smith and Mak, {Thomas C.W.} and Yip, {Wai Hing} and Chan, {Wing hong}",

year = "1989",

doi = "10.1016/S0277-5387(00)80349-6",

language = "English",

volume = "8",

pages = "2147--2150",

journal = "Polyhedron",

issn = "0277-5387",

publisher = "Elsevier Ltd.",

number = "17",

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TY - JOUR

T1 - Metal-(phenylthio)alkanoic acid interactions-XII the crystal structure of potassium (4-chloro-2,5-dimethylphenylthio)-acetate-(4-chloro-2,5-dimethylphenylthio)acetic acid adduct

AU - Kennard, Colin H.L.

AU - Smith, Graham

AU - Mak, Thomas C.W.

AU - Yip, Wai Hing

AU - Chan, Wing hong

PY - 1989

Y1 - 1989

N2 - The crystal structure of a potassium adduct with a substituted (phenylthio)acetic acid has been determined using X-ray diffraction, and refined to a residual R = 0.043 for 1932 observed reflections. The adduct, [(KL)(LH)]n, where LH = (4-chloro-2,5-dimethylphenylthio)acetic acid, is triclinic, space group P1̄, Z = 2, a = 7.313(2), b = 9.386(2), c = 17.371(5) Å, α = 77.53(2), β = 79.28(2), γ = 84.95(2)°. The K atom is surrounded by a distorted octahedron comprising five oxygens [KO, 2.691-2.777(3) Å] and one sulphur atom [KS, 3.349(2) Å], with oxygens also bridging in a polymer structure. There are two hydrogen atoms at special positions contributing to the one H+. The compound is an example of a type A, [(M+)2(HX2-)2] system, with one hydrogen atom being shared by two crystallographically related X groups. There are two conformationally different (HX2-) groups in the structure.

AB - The crystal structure of a potassium adduct with a substituted (phenylthio)acetic acid has been determined using X-ray diffraction, and refined to a residual R = 0.043 for 1932 observed reflections. The adduct, [(KL)(LH)]n, where LH = (4-chloro-2,5-dimethylphenylthio)acetic acid, is triclinic, space group P1̄, Z = 2, a = 7.313(2), b = 9.386(2), c = 17.371(5) Å, α = 77.53(2), β = 79.28(2), γ = 84.95(2)°. The K atom is surrounded by a distorted octahedron comprising five oxygens [KO, 2.691-2.777(3) Å] and one sulphur atom [KS, 3.349(2) Å], with oxygens also bridging in a polymer structure. There are two hydrogen atoms at special positions contributing to the one H+. The compound is an example of a type A, [(M+)2(HX2-)2] system, with one hydrogen atom being shared by two crystallographically related X groups. There are two conformationally different (HX2-) groups in the structure.

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U2 - 10.1016/S0277-5387(00)80349-6

DO - 10.1016/S0277-5387(00)80349-6

M3 - Journal article

AN - SCOPUS:33846949109

SN - 0277-5387

VL - 8

SP - 2147

EP - 2150

JO - Polyhedron

JF - Polyhedron

IS - 17

ER -

Metal-(phenylthio)alkanoic acid interactions-XII the crystal structure of potassium (4-chloro-2,5-dimethylphenylthio)-acetate-(4-chloro-2,5-dimethylphenylthio)acetic acid adduct

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