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2-(5-Bromo-thio-phen-2-yl)-5-[5-(10-ethyl-phenothia-zin-3-yl)thio-phen-2-yl]-1,3,4-oxadiazole.

Pan YZ, Wang YG, Liu JH, Sun LC - Acta Crystallogr Sect E Struct Rep Online (2012)

Bottom Line: The mol-ecule of the title compound, C(24)H(16)BrN(3)OS(3), contains three approximately planar fragments, viz. an oxadiazole ring plus two adjacent thio-phene groups, and two phenothia-zine benzene rings, with largest deviations from the least-squares planes of 0.051 (3), 0.019 (4) and 0.014 (3) Å, respectively.The phenothia-zine unit adopts a butterfly conformation, with a dihedral angle of 38.06 (15)° between the terminal benzene rings.The dihedral angle between the 2,5-bis-(thio-phen-2-yl)oxadiazole unit and the attached benzene ring is 15.35 (11)°.

View Article: PubMed Central - HTML - PubMed

ABSTRACT
The mol-ecule of the title compound, C(24)H(16)BrN(3)OS(3), contains three approximately planar fragments, viz. an oxadiazole ring plus two adjacent thio-phene groups, and two phenothia-zine benzene rings, with largest deviations from the least-squares planes of 0.051 (3), 0.019 (4) and 0.014 (3) Å, respectively. The phenothia-zine unit adopts a butterfly conformation, with a dihedral angle of 38.06 (15)° between the terminal benzene rings. The dihedral angle between the 2,5-bis-(thio-phen-2-yl)oxadiazole unit and the attached benzene ring is 15.35 (11)°. In the crystal, mol-ecules form stacks along the b-axis direction; neighboring mol-ecules within the stack are related by inversion centers, with shortest inter-centroid separations of 3.741 (2) and 3.767 (2) Å.

No MeSH data available.


Related in: MedlinePlus

Structure of the title compound with atom-labelling scheme and displacement ellipsoids drawn at the 30% probability level.
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Fap1: Structure of the title compound with atom-labelling scheme and displacement ellipsoids drawn at the 30% probability level.


2-(5-Bromo-thio-phen-2-yl)-5-[5-(10-ethyl-phenothia-zin-3-yl)thio-phen-2-yl]-1,3,4-oxadiazole.

Pan YZ, Wang YG, Liu JH, Sun LC - Acta Crystallogr Sect E Struct Rep Online (2012)

Structure of the title compound with atom-labelling scheme and displacement ellipsoids drawn at the 30% probability level.
© Copyright Policy - open-access
Related In: Results  -  Collection

License
Show All Figures
getmorefigures.php?uid=PMC3344512&req=5

Fap1: Structure of the title compound with atom-labelling scheme and displacement ellipsoids drawn at the 30% probability level.
Bottom Line: The mol-ecule of the title compound, C(24)H(16)BrN(3)OS(3), contains three approximately planar fragments, viz. an oxadiazole ring plus two adjacent thio-phene groups, and two phenothia-zine benzene rings, with largest deviations from the least-squares planes of 0.051 (3), 0.019 (4) and 0.014 (3) Å, respectively.The phenothia-zine unit adopts a butterfly conformation, with a dihedral angle of 38.06 (15)° between the terminal benzene rings.The dihedral angle between the 2,5-bis-(thio-phen-2-yl)oxadiazole unit and the attached benzene ring is 15.35 (11)°.

View Article: PubMed Central - HTML - PubMed

ABSTRACT
The mol-ecule of the title compound, C(24)H(16)BrN(3)OS(3), contains three approximately planar fragments, viz. an oxadiazole ring plus two adjacent thio-phene groups, and two phenothia-zine benzene rings, with largest deviations from the least-squares planes of 0.051 (3), 0.019 (4) and 0.014 (3) Å, respectively. The phenothia-zine unit adopts a butterfly conformation, with a dihedral angle of 38.06 (15)° between the terminal benzene rings. The dihedral angle between the 2,5-bis-(thio-phen-2-yl)oxadiazole unit and the attached benzene ring is 15.35 (11)°. In the crystal, mol-ecules form stacks along the b-axis direction; neighboring mol-ecules within the stack are related by inversion centers, with shortest inter-centroid separations of 3.741 (2) and 3.767 (2) Å.

No MeSH data available.


Related in: MedlinePlus