1,2-Bis(4-ethynylphenyl)disulfane

Qi Xiao; Rui Liu; Yu Hao Li; Hong Bin Chen; Hong Jun Zhu

doi:10.1107/S1600536810004721

1,2-Bis(4-ethynylphenyl)disulfane

Qi Xiao, Rui Liu, Yu Hao Li, Hong Bin Chen, Hong Jun Zhu

School of Chemistry and Moleculai Engineering

Nanjing Tech University

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

Abstract

In the title compound, C₁₆H₁₀S₂, the S atoms are almost coplanar with the benzene rings to which they are bonded [deviations of 0.092 (1) and 0.022 (1) Å from their respective ring planes]. The benzene rings enclose a dihedral angle of 79.17 (3)°. An intra-molecular C - H⋯S hydrogen bond results in the formation of a five-membered ring. In the crystal structure, mol-ecules are stacked parallel to the a axis direction. π-π inter-actions between benzene rings are present, with a face-to-face stacking distance of 3.622 (10) Å.

Original language	English
Pages (from-to)	o606
Journal	Acta Crystallographica Section E: Structure Reports Online
Volume	66
Issue number	3
DOIs	https://doi.org/10.1107/S1600536810004721
State	Published - 2010

Keywords

Data-to-parameter ratio = 15.5
Mean σ(C-C) = 0.007 Å
R factor = 0.060
Single-crystal X-ray study
T = 293 K
WR factor = 0.194

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title = "1,2-Bis(4-ethynylphenyl)disulfane",

abstract = "In the title compound, C16H10S2, the S atoms are almost coplanar with the benzene rings to which they are bonded [deviations of 0.092 (1) and 0.022 (1) {\AA} from their respective ring planes]. The benzene rings enclose a dihedral angle of 79.17 (3)°. An intra-molecular C - H⋯S hydrogen bond results in the formation of a five-membered ring. In the crystal structure, mol-ecules are stacked parallel to the a axis direction. π-π inter-actions between benzene rings are present, with a face-to-face stacking distance of 3.622 (10) {\AA}.",

keywords = "Data-to-parameter ratio = 15.5, Mean σ(C-C) = 0.007 {\AA}, R factor = 0.060, Single-crystal X-ray study, T = 293 K, WR factor = 0.194",

author = "Qi Xiao and Rui Liu and Li, {Yu Hao} and Chen, {Hong Bin} and Zhu, {Hong Jun}",

year = "2010",

doi = "10.1107/S1600536810004721",

language = "英语",

volume = "66",

pages = "o606",

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

issn = "1600-5368",

publisher = "International Union of Crystallography",

number = "3",

}

TY - JOUR

T1 - 1,2-Bis(4-ethynylphenyl)disulfane

AU - Xiao, Qi

AU - Liu, Rui

AU - Li, Yu Hao

AU - Chen, Hong Bin

AU - Zhu, Hong Jun

PY - 2010

Y1 - 2010

N2 - In the title compound, C16H10S2, the S atoms are almost coplanar with the benzene rings to which they are bonded [deviations of 0.092 (1) and 0.022 (1) Å from their respective ring planes]. The benzene rings enclose a dihedral angle of 79.17 (3)°. An intra-molecular C - H⋯S hydrogen bond results in the formation of a five-membered ring. In the crystal structure, mol-ecules are stacked parallel to the a axis direction. π-π inter-actions between benzene rings are present, with a face-to-face stacking distance of 3.622 (10) Å.

AB - In the title compound, C16H10S2, the S atoms are almost coplanar with the benzene rings to which they are bonded [deviations of 0.092 (1) and 0.022 (1) Å from their respective ring planes]. The benzene rings enclose a dihedral angle of 79.17 (3)°. An intra-molecular C - H⋯S hydrogen bond results in the formation of a five-membered ring. In the crystal structure, mol-ecules are stacked parallel to the a axis direction. π-π inter-actions between benzene rings are present, with a face-to-face stacking distance of 3.622 (10) Å.

KW - Data-to-parameter ratio = 15.5

KW - Mean σ(C-C) = 0.007 Å

KW - R factor = 0.060

KW - Single-crystal X-ray study

KW - T = 293 K

KW - WR factor = 0.194

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U2 - 10.1107/S1600536810004721

DO - 10.1107/S1600536810004721

M3 - 文章

AN - SCOPUS:77949352797

SN - 1600-5368

VL - 66

SP - o606

JO - Acta Crystallographica Section E: Structure Reports Online

JF - Acta Crystallographica Section E: Structure Reports Online

IS - 3

ER -

1,2-Bis(4-ethynylphenyl)disulfane

Abstract

Keywords

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