8-Thia-1,6-diazabicyclo-[4.3.0]nonane-7,9-dione

Bin Bin Xi; Lu Shi; Hai Huang; Qin Wang; Hong Jun Zhu

doi:10.1107/S1600536811038785

8-Thia-1,6-diazabicyclo-[4.3.0]nonane-7,9-dione

Bin Bin Xi, Lu Shi, Hai Huang, Qin Wang, Hong Jun Zhu

School of Chemistry and Moleculai Engineering

Nanjing Tech University

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

Abstract

There are two independent mol-ecules, A and B, in the asymmetric unit of the title compound, C ₆H ₈N ₂O ₂S. In the crystal, pairs of inter-molecular S⋯O contacts [3.286 (1) Å] link the B mol-ecules into inversion dimers.

Original language	English
Pages (from-to)	o2771
Journal	Acta Crystallographica Section E: Structure Reports Online
Volume	67
Issue number	10
DOIs	https://doi.org/10.1107/S1600536811038785
State	Published - Oct 2011

Keywords

R factor = 0.044
T = 293 K
data-to-parameter ratio = 14.0
mean σ(C-C) = 0.005 Å
single-crystal X-ray study
wR factor = 0.125

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title = "8-Thia-1,6-diazabicyclo-[4.3.0]nonane-7,9-dione",

abstract = "There are two independent mol-ecules, A and B, in the asymmetric unit of the title compound, C 6H 8N 2O 2S. In the crystal, pairs of inter-molecular S⋯O contacts [3.286 (1) {\AA}] link the B mol-ecules into inversion dimers.",

keywords = "R factor = 0.044, T = 293 K, data-to-parameter ratio = 14.0, mean σ(C-C) = 0.005 {\AA}, single-crystal X-ray study, wR factor = 0.125",

author = "Xi, {Bin Bin} and Lu Shi and Hai Huang and Qin Wang and Zhu, {Hong Jun}",

year = "2011",

month = oct,

doi = "10.1107/S1600536811038785",

language = "英语",

volume = "67",

pages = "o2771",

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

issn = "1600-5368",

publisher = "International Union of Crystallography",

number = "10",

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T1 - 8-Thia-1,6-diazabicyclo-[4.3.0]nonane-7,9-dione

AU - Xi, Bin Bin

AU - Shi, Lu

AU - Huang, Hai

AU - Wang, Qin

AU - Zhu, Hong Jun

PY - 2011/10

Y1 - 2011/10

N2 - There are two independent mol-ecules, A and B, in the asymmetric unit of the title compound, C 6H 8N 2O 2S. In the crystal, pairs of inter-molecular S⋯O contacts [3.286 (1) Å] link the B mol-ecules into inversion dimers.

AB - There are two independent mol-ecules, A and B, in the asymmetric unit of the title compound, C 6H 8N 2O 2S. In the crystal, pairs of inter-molecular S⋯O contacts [3.286 (1) Å] link the B mol-ecules into inversion dimers.

KW - R factor = 0.044

KW - T = 293 K

KW - data-to-parameter ratio = 14.0

KW - mean σ(C-C) = 0.005 Å

KW - single-crystal X-ray study

KW - wR factor = 0.125

UR - http://www.scopus.com/inward/record.url?scp=80054982821&partnerID=8YFLogxK

U2 - 10.1107/S1600536811038785

DO - 10.1107/S1600536811038785

M3 - 文章

AN - SCOPUS:80054982821

SN - 1600-5368

VL - 67

SP - o2771

JO - Acta Crystallographica Section E: Structure Reports Online

JF - Acta Crystallographica Section E: Structure Reports Online

IS - 10

ER -

8-Thia-1,6-diazabicyclo-[4.3.0]nonane-7,9-dione

Abstract

Keywords

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