1-(Hex-5-en-1-yl)-4-{[3-methyl-2,3-dihydro-1,3-benzothiazol-2-ylidene]methyl}quinolin-1-ium iodide monohydrate

Nathaniel Shank; Andrea L. Stadler; Sean P. Barrett; Clifford W. Padgett; W. T.A. Harrison

doi:10.1107/S2414314622007970

1-(Hex-5-en-1-yl)-4-{[3-methyl-2,3-dihydro-1,3-benzothiazol-2-ylidene]methyl}quinolin-1-ium iodide monohydrate

Nathaniel Shank, Andrea L. Stadler, Sean P. Barrett, Clifford W. Padgett, W. T.A. Harrison

Biochemistry, Chemistry & Physics

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

Abstract

The title thiazole orange derivative, bearing an alkene substituent, crystallized as a monohydrate of its iodide salt, namely, (Z)-1-(hex-5-en-1-yl)-4-{[3-methyl-2,3-dihydro-1,3-benzothiazol-2-ylidene]methyl}quinolin-1-ium iodide monohydrate, C24H25N2S+·I-·H2O. The packing features aromatic π-stacking and van der Waals interactions. The water molecule of crystallization interacts with the cation and anion via O - HN and O - HI hydrogen bonds, respectively.

Original language	English
Article number	x220797
Journal	IUCrData
Volume	7
Issue number	Pt 8
DOIs	https://doi.org/10.1107/S2414314622007970
State	Published - Aug 1 2022

Scopus Subject Areas

Analytical Chemistry
Organic Chemistry
Inorganic Chemistry

Keywords

crystal structure
thiazole orange
π-stacking

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10.1107/S2414314622007970

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title = "1-(Hex-5-en-1-yl)-4-{[3-methyl-2,3-dihydro-1,3-benzothiazol-2-ylidene]methyl}quinolin-1-ium iodide monohydrate",

abstract = "The title thiazole orange derivative, bearing an alkene substituent, crystallized as a monohydrate of its iodide salt, namely, (Z)-1-(hex-5-en-1-yl)-4-{[3-methyl-2,3-dihydro-1,3-benzothiazol-2-ylidene]methyl}quinolin-1-ium iodide monohydrate, C24H25N2S+·I-·H2O. The packing features aromatic π-stacking and van der Waals interactions. The water molecule of crystallization interacts with the cation and anion via O - HN and O - HI hydrogen bonds, respectively.",

keywords = "crystal structure, thiazole orange, π-stacking",

author = "Nathaniel Shank and Stadler, {Andrea L.} and Barrett, {Sean P.} and Padgett, {Clifford W.} and Harrison, {W. T.A.}",

note = "Publisher Copyright: {\textcopyright} 2022 Shank et al.",

year = "2022",

month = aug,

day = "1",

doi = "10.1107/S2414314622007970",

language = "English",

volume = "7",

journal = "IUCrData",

issn = "2414-3146",

publisher = "International Union of Crystallography",

number = "Pt 8",

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TY - JOUR

T1 - 1-(Hex-5-en-1-yl)-4-{[3-methyl-2,3-dihydro-1,3-benzothiazol-2-ylidene]methyl}quinolin-1-ium iodide monohydrate

AU - Shank, Nathaniel

AU - Stadler, Andrea L.

AU - Barrett, Sean P.

AU - Padgett, Clifford W.

AU - Harrison, W. T.A.

PY - 2022/8/1

Y1 - 2022/8/1

N2 - The title thiazole orange derivative, bearing an alkene substituent, crystallized as a monohydrate of its iodide salt, namely, (Z)-1-(hex-5-en-1-yl)-4-{[3-methyl-2,3-dihydro-1,3-benzothiazol-2-ylidene]methyl}quinolin-1-ium iodide monohydrate, C24H25N2S+·I-·H2O. The packing features aromatic π-stacking and van der Waals interactions. The water molecule of crystallization interacts with the cation and anion via O - HN and O - HI hydrogen bonds, respectively.

AB - The title thiazole orange derivative, bearing an alkene substituent, crystallized as a monohydrate of its iodide salt, namely, (Z)-1-(hex-5-en-1-yl)-4-{[3-methyl-2,3-dihydro-1,3-benzothiazol-2-ylidene]methyl}quinolin-1-ium iodide monohydrate, C24H25N2S+·I-·H2O. The packing features aromatic π-stacking and van der Waals interactions. The water molecule of crystallization interacts with the cation and anion via O - HN and O - HI hydrogen bonds, respectively.

KW - crystal structure

KW - thiazole orange

KW - π-stacking

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U2 - 10.1107/S2414314622007970

DO - 10.1107/S2414314622007970

M3 - Article

AN - SCOPUS:85139205527

SN - 2414-3146

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IS - Pt 8

M1 - x220797

ER -

1-(Hex-5-en-1-yl)-4-{[3-methyl-2,3-dihydro-1,3-benzothiazol-2-ylidene]methyl}quinolin-1-ium iodide monohydrate

Abstract

Scopus Subject Areas

Keywords

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