The first crystal structure of an alkaline metal salt of thioglucose : potassium 1-thio-β-D-glucoside monohydrate

Nobuto, Yoshinari; Naoki, Kitani; Konno, Takumi

doi:https://doi.org/10.1107/S0108270112047014

アクセス数:455件（2024-04-25 17:34 集計）

固定URL: https://hdl.handle.net/11094/54383

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タイトル	The first crystal structure of an alkaline metal salt of thioglucose : potassium 1-thio-β-D-glucoside monohydrate
著者	NRID 1000010583338 1000010583338 ORCID 0000-0003-2457-0967 0000-0003-2457-0967 researchmap permalink read0151149 read0151149 Scopus Author ID 14009212400 14009212400 著者名 Nobuto, Yoshinari
	著者名 Naoki, Kitani
	NRID 1000050201497 1000050201497 著者名 Konno, Takumi
抄録	In the crystal structure of the title hydrated salt, poly[(μ_2-aqua)(μ_4-1-sulfido-β-D-glucoside)potassium], [K(C_6H_<11>O_5S)(H_2O)]_n or K^+·C_6H_<11>O_5S^−·H2O, each thioglucoside anion coordinates to four K^+ cations through three of its four hydroxy groups, forming a three-dimensional polymeric structure. The negatively charged thiolate group in each anion does not form an efficient coordination bond with a K+ cation, but forms intermolecular hydrogen bonds with four hydroxy groups, which appears to sustain the polymeric structure. The Cremer–Pople parameters for the thioglucoside ligand (Q = 0.575, θ = 8.233° and ϕ = 353.773°) indicate a slight distortion of the pyranose ring.
出版者	International Union of Crystallography
収録物名	Acta Crystallographica Section C
巻(号)	68(12)
ページ	m363-m366
刊行年月	2012-12
言語	英語
ハンドルURL	https://hdl.handle.net/11094/54383
PISSN	01082701
関連情報 (references)	URI http://onlinelibrary.wiley.com/doi/10.1107/S0108270112047014/abstract
関連情報 (isIdenticalTo)	DOI (出版社版) https://doi.org/10.1107/S0108270112047014
アクセス権	open access
出版タイプ	Version of Record
カテゴリ	学術雑誌論文 Journal Article

資源タイプ	学術雑誌論文
ローカル資源タイプ	学術雑誌論文
DCMI資源タイプ	text
DCTERMS.bibliographicCitation	Acta Crystallographica Section C. 2012, 68(12), p. m363-m366
DC.title	The first crystal structure of an alkaline metal salt of thioglucose : potassium 1-thio-β-D-glucoside monohydrate
DC.creator	Nobuto, Yoshinari
	Naoki, Kitani
	Konno, Takumi
DC.publisher	International Union of Crystallography
DC.language' scheme='DCTERMS.RFC1766	英語
DC.type' scheme='DCTERMS.DCMIType	text
DCTERMS.issued' scheme='DCTERMS.W3CDTF	2012-12
DC.identifier	https://doi.org/10.1107/S0108270112047014
DC.relation' scheme='DCTERMS.URI	http://onlinelibrary.wiley.com/doi/10.1107/S0108270112047014/abstract
DCTERMS.abstract	In the crystal structure of the title hydrated salt, poly[(μ_2-aqua)(μ_4-1-sulfido-β-D-glucoside)potassium], [K(C_6H_<11>O_5S)(H_2O)]_n or K^+·C_6H_<11>O_5S^−·H2O, each thioglucoside anion coordinates to four K^+ cations through three of its four hydroxy groups, forming a three-dimensional polymeric structure. The negatively charged thiolate group in each anion does not form an efficient coordination bond with a K+ cation, but forms intermolecular hydrogen bonds with four hydroxy groups, which appears to sustain the polymeric structure. The Cremer–Pople parameters for the thioglucoside ligand (Q = 0.575, θ = 8.233° and ϕ = 353.773°) indicate a slight distortion of the pyranose ring.
DC.format	application/pdf
citation_title	The first crystal structure of an alkaline metal salt of thioglucose : potassium 1-thio-β-D-glucoside monohydrate
citation_author	Nobuto, Yoshinari
	Naoki, Kitani
	Konno, Takumi
citation_publisher	International Union of Crystallography
citation_language	英語
citation_date	2012-12
citation_journal_title	Acta Crystallographica Section C
citation_volume	68
citation_issue	12
citation_firstpage	m363
citation_lastpage	m366
citation_doi	https://doi.org/10.1107/S0108270112047014
citation_public_url	https://hdl.handle.net/11094/54383
citation_abstract_html_url	http://onlinelibrary.wiley.com/doi/10.1107/S0108270112047014/abstract

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