5-Phenyl-1,2,5-dithiazepane

Lauren A. Mitchell; Michelle L. Mejía; Seyma Gören Keskin; Bradley J. Holliday

doi:10.1107/S1600536814002207

5-Phenyl-1,2,5-dithiazepane

Lauren A. Mitchell, Michelle L. Mejía, Seyma Gören Keskin, Bradley J. Holliday

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

1 Scopus citations

Abstract

In the title compound, C₁₀H₁₃NS₂, the seven-membered ring adopts a chair conformation. The S - S bond length is 2.0406 (5) Å and the C - S - S - C torsion angle is -83.89 (7)°. The amine group is sp ²-hybridized. In the crystal, molecules are linked into chains along [001] by weak intermolecular S⋯S contacts of 3.5246 (5) Å.

Original language	English (US)
Pages (from-to)	o285
Journal	Acta Crystallographica Section E: Structure Reports Online
Volume	70
Issue number	3
DOIs	https://doi.org/10.1107/S1600536814002207
State	Published - Mar 2014
Externally published	Yes

Keywords

Data-to-parameter ratio = 14.9
Mean σ(C-C) = 0.002 Å
R factor = 0.024
Single-crystal X-ray study
T = 153 K
wR factor = 0.064

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@article{a3bd94a5da3c415481a79599c72eb743,

title = "5-Phenyl-1,2,5-dithiazepane",

abstract = "In the title compound, C10H13NS2, the seven-membered ring adopts a chair conformation. The S - S bond length is 2.0406 (5) {\AA} and the C - S - S - C torsion angle is -83.89 (7)°. The amine group is sp 2-hybridized. In the crystal, molecules are linked into chains along [001] by weak intermolecular S⋯S contacts of 3.5246 (5) {\AA}.",

keywords = "Data-to-parameter ratio = 14.9, Mean σ(C-C) = 0.002 {\AA}, R factor = 0.024, Single-crystal X-ray study, T = 153 K, wR factor = 0.064",

author = "Mitchell, {Lauren A.} and Mej{\'i}a, {Michelle L.} and Keskin, {Seyma G{\"o}ren} and Holliday, {Bradley J.}",

year = "2014",

month = mar,

doi = "10.1107/S1600536814002207",

language = "English (US)",

volume = "70",

pages = "o285",

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

issn = "1600-5368",

publisher = "International Union of Crystallography",

number = "3",

}

TY - JOUR

T1 - 5-Phenyl-1,2,5-dithiazepane

AU - Mitchell, Lauren A.

AU - Mejía, Michelle L.

AU - Keskin, Seyma Gören

AU - Holliday, Bradley J.

PY - 2014/3

Y1 - 2014/3

N2 - In the title compound, C10H13NS2, the seven-membered ring adopts a chair conformation. The S - S bond length is 2.0406 (5) Å and the C - S - S - C torsion angle is -83.89 (7)°. The amine group is sp 2-hybridized. In the crystal, molecules are linked into chains along [001] by weak intermolecular S⋯S contacts of 3.5246 (5) Å.

AB - In the title compound, C10H13NS2, the seven-membered ring adopts a chair conformation. The S - S bond length is 2.0406 (5) Å and the C - S - S - C torsion angle is -83.89 (7)°. The amine group is sp 2-hybridized. In the crystal, molecules are linked into chains along [001] by weak intermolecular S⋯S contacts of 3.5246 (5) Å.

KW - Data-to-parameter ratio = 14.9

KW - Mean σ(C-C) = 0.002 Å

KW - R factor = 0.024

KW - Single-crystal X-ray study

KW - T = 153 K

KW - wR factor = 0.064

UR - http://www.scopus.com/inward/record.url?scp=84897709989&partnerID=8YFLogxK

UR - http://www.scopus.com/inward/citedby.url?scp=84897709989&partnerID=8YFLogxK

U2 - 10.1107/S1600536814002207

DO - 10.1107/S1600536814002207

M3 - Article

AN - SCOPUS:84897709989

SN - 1600-5368

VL - 70

SP - o285

JO - Acta Crystallographica Section E: Structure Reports Online

JF - Acta Crystallographica Section E: Structure Reports Online

IS - 3

ER -

5-Phenyl-1,2,5-dithiazepane

Abstract

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