2,9-Bis(5-sulfanylidene-4,5-dihydro-1,3,4-oxadiazol-2-yl)-1, 10-phenanthroline dimethyl sulfoxide disolvate

Md A. Rahman; Mohammad Karim; Md Arifuzzaman; Tasneem Siddiquee; Lee M. Daniels

doi:10.1107/S1600536814003304

2,9-Bis(5-sulfanylidene-4,5-dihydro-1,3,4-oxadiazol-2-yl)-1, 10-phenanthroline dimethyl sulfoxide disolvate

Md A. Rahman
, Mohammad Karim
, Md Arifuzzaman
, Tasneem Siddiquee
, Lee M. Daniels

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

1 Scopus citations

Abstract

In the title compound, C₁₆H₈N₆O ₂S2·2C₂H₆OS, the phenanthroline molecule resides on a twofold axis, and the asymmetric unit also contains a slightly disordered [occupancy ratio for S atom of 0.95 (3):0.047 (3)] molecule of dimethyl sulfoxide. The O atoms of the solvent molecule accept hydrogen bonds from the N - H groups of the five-membered 2,3-dihydro-1,3,4-oxadiazole-2-thione ring. This ring is nearly coplanar with the phenanthroline ring, with a dihedral angle between their least-squares planes of 8.86 (6)°. In the crystal, the molecules are linked by C - H⋯O interactions.

Original language	English
Pages (from-to)	o321-o322
Journal	Acta Crystallographica Section E: Structure Reports Online
Volume	70
Issue number	3
DOIs	https://doi.org/10.1107/S1600536814003304
State	Published - Mar 2014
Externally published	Yes

Keywords

Data-toparameter ratio = 16.7
Disorder in solvent or counterion
Mean σ(C-C) = 0.005 Å
R factor = 0.067
Single-crystal X-ray study
T = 277 K
wR factor = 0.171

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@article{19dbdabc709547498dce49345ff84343,

title = "2,9-Bis(5-sulfanylidene-4,5-dihydro-1,3,4-oxadiazol-2-yl)-1, 10-phenanthroline dimethyl sulfoxide disolvate",

abstract = "In the title compound, C16H8N6O 2S2·2C2H6OS, the phenanthroline molecule resides on a twofold axis, and the asymmetric unit also contains a slightly disordered [occupancy ratio for S atom of 0.95 (3):0.047 (3)] molecule of dimethyl sulfoxide. The O atoms of the solvent molecule accept hydrogen bonds from the N - H groups of the five-membered 2,3-dihydro-1,3,4-oxadiazole-2-thione ring. This ring is nearly coplanar with the phenanthroline ring, with a dihedral angle between their least-squares planes of 8.86 (6)°. In the crystal, the molecules are linked by C - H⋯O interactions.",

keywords = "Data-toparameter ratio = 16.7, Disorder in solvent or counterion, Mean σ(C-C) = 0.005 {\AA}, R factor = 0.067, Single-crystal X-ray study, T = 277 K, wR factor = 0.171",

author = "Rahman, \{Md A.\} and Mohammad Karim and Md Arifuzzaman and Tasneem Siddiquee and Daniels, \{Lee M.\}",

year = "2014",

month = mar,

doi = "10.1107/S1600536814003304",

language = "English",

volume = "70",

pages = "o321--o322",

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

issn = "1600-5368",

number = "3",

}

TY - JOUR

T1 - 2,9-Bis(5-sulfanylidene-4,5-dihydro-1,3,4-oxadiazol-2-yl)-1, 10-phenanthroline dimethyl sulfoxide disolvate

AU - Rahman, Md A.

AU - Karim, Mohammad

AU - Arifuzzaman, Md

AU - Siddiquee, Tasneem

AU - Daniels, Lee M.

PY - 2014/3

Y1 - 2014/3

N2 - In the title compound, C16H8N6O 2S2·2C2H6OS, the phenanthroline molecule resides on a twofold axis, and the asymmetric unit also contains a slightly disordered [occupancy ratio for S atom of 0.95 (3):0.047 (3)] molecule of dimethyl sulfoxide. The O atoms of the solvent molecule accept hydrogen bonds from the N - H groups of the five-membered 2,3-dihydro-1,3,4-oxadiazole-2-thione ring. This ring is nearly coplanar with the phenanthroline ring, with a dihedral angle between their least-squares planes of 8.86 (6)°. In the crystal, the molecules are linked by C - H⋯O interactions.

AB - In the title compound, C16H8N6O 2S2·2C2H6OS, the phenanthroline molecule resides on a twofold axis, and the asymmetric unit also contains a slightly disordered [occupancy ratio for S atom of 0.95 (3):0.047 (3)] molecule of dimethyl sulfoxide. The O atoms of the solvent molecule accept hydrogen bonds from the N - H groups of the five-membered 2,3-dihydro-1,3,4-oxadiazole-2-thione ring. This ring is nearly coplanar with the phenanthroline ring, with a dihedral angle between their least-squares planes of 8.86 (6)°. In the crystal, the molecules are linked by C - H⋯O interactions.

KW - Data-toparameter ratio = 16.7

KW - Disorder in solvent or counterion

KW - Mean σ(C-C) = 0.005 Å

KW - R factor = 0.067

KW - Single-crystal X-ray study

KW - T = 277 K

KW - wR factor = 0.171

UR - https://www.scopus.com/pages/publications/84897741847

U2 - 10.1107/S1600536814003304

DO - 10.1107/S1600536814003304

M3 - Article

AN - SCOPUS:84897741847

SN - 1600-5368

VL - 70

SP - o321-o322

JO - Acta Crystallographica Section E: Structure Reports Online

JF - Acta Crystallographica Section E: Structure Reports Online

IS - 3

ER -

2,9-Bis(5-sulfanylidene-4,5-dihydro-1,3,4-oxadiazol-2-yl)-1, 10-phenanthroline dimethyl sulfoxide disolvate

Abstract

Keywords

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