4-(2,3-Dihydrothieno[3,4-b][1,4]dioxin-5-yl)aniline

Lauren A. Mitchell; Bradley J. Holliday

doi:10.1107/S1600536814014093

4-(2,3-Dihydrothieno[3,4-b][1,4]dioxin-5-yl)aniline

Lauren A. Mitchell
, Bradley J. Holliday

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

Abstract

In the title molecule, C₁₂H₁₁NO_2S, the dioxane-type ring adopts a half-chair conformation. The thiophene ring forms a dihedral angle of 12.53 (6)-with the benzene ring. In the crystal, N-H⋯O, hydrogen bonds link molecules, forming chains along the c-axis direction. A weak intramolecular C-H⋯O hydrogen bond is observed.

Original language	English (US)
Pages (from-to)	o803
Journal	Acta Crystallographica Section E: Structure Reports Online
Volume	70
Issue number	7
DOIs	https://doi.org/10.1107/S1600536814014093
State	Published - Jul 2014
Externally published	Yes

Keywords

Data-to-parameter ratio = 12.1
Mean-(C-C) = 0.003 Å
R factor = 0.029
Single-crystal X-ray study
T = 100 K
WR factor = 0.075

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title = "4-(2,3-Dihydrothieno[3,4-b][1,4]dioxin-5-yl)aniline",

abstract = "In the title molecule, C12H11NO2S, the dioxane-type ring adopts a half-chair conformation. The thiophene ring forms a dihedral angle of 12.53 (6)-with the benzene ring. In the crystal, N-H⋯O, hydrogen bonds link molecules, forming chains along the c-axis direction. A weak intramolecular C-H⋯O hydrogen bond is observed.",

keywords = "Data-to-parameter ratio = 12.1, Mean-(C-C) = 0.003 {\AA}, R factor = 0.029, Single-crystal X-ray study, T = 100 K, WR factor = 0.075",

author = "Mitchell, \{Lauren A.\} and Holliday, \{Bradley J.\}",

year = "2014",

month = jul,

doi = "10.1107/S1600536814014093",

language = "English (US)",

volume = "70",

pages = "o803",

journal = "Acta Crystallographica Section E: Structure Reports Online",

issn = "1600-5368",

publisher = "International Union of Crystallography",

number = "7",

}

TY - JOUR

T1 - 4-(2,3-Dihydrothieno[3,4-b][1,4]dioxin-5-yl)aniline

AU - Mitchell, Lauren A.

AU - Holliday, Bradley J.

PY - 2014/7

Y1 - 2014/7

N2 - In the title molecule, C12H11NO2S, the dioxane-type ring adopts a half-chair conformation. The thiophene ring forms a dihedral angle of 12.53 (6)-with the benzene ring. In the crystal, N-H⋯O, hydrogen bonds link molecules, forming chains along the c-axis direction. A weak intramolecular C-H⋯O hydrogen bond is observed.

AB - In the title molecule, C12H11NO2S, the dioxane-type ring adopts a half-chair conformation. The thiophene ring forms a dihedral angle of 12.53 (6)-with the benzene ring. In the crystal, N-H⋯O, hydrogen bonds link molecules, forming chains along the c-axis direction. A weak intramolecular C-H⋯O hydrogen bond is observed.

KW - Data-to-parameter ratio = 12.1

KW - Mean-(C-C) = 0.003 Å

KW - R factor = 0.029

KW - Single-crystal X-ray study

KW - T = 100 K

KW - WR factor = 0.075

UR - https://www.scopus.com/pages/publications/84904188327

UR - https://www.scopus.com/pages/publications/84904188327#tab=citedBy

U2 - 10.1107/S1600536814014093

DO - 10.1107/S1600536814014093

M3 - Article

AN - SCOPUS:84904188327

SN - 1600-5368

VL - 70

SP - o803

JO - Acta Crystallographica Section E: Structure Reports Online

JF - Acta Crystallographica Section E: Structure Reports Online

IS - 7

ER -

4-(2,3-Dihydrothieno[3,4-b][1,4]dioxin-5-yl)aniline

Abstract

Keywords

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