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6-(4-Bromo-phen-yl)-3-methyl-7H-1,2,4-triazolo[3,4-b][1,3,4]thia-diazine.

Fun HK, Quah CK, Abdel-Aziz HA, Attia MI - Acta Crystallogr Sect E Struct Rep Online (2012)

Bottom Line: In the title compound, C(11)H(9)BrN(4)S, the 1,2,4-triazole ring is essentially planar (r.m.s. deviation = 0.020 Å) and makes a dihedral angle of 29.1 (5)° with the bromo-benzene ring.The 3,6-dihydro-1,3,4-thia-diazine ring adopts a twist-boat conformation.The same N atom accepts two such hydrogen bonds.

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ABSTRACT
In the title compound, C(11)H(9)BrN(4)S, the 1,2,4-triazole ring is essentially planar (r.m.s. deviation = 0.020 Å) and makes a dihedral angle of 29.1 (5)° with the bromo-benzene ring. The 3,6-dihydro-1,3,4-thia-diazine ring adopts a twist-boat conformation. In the crystal, mol-ecules are linked by C-H⋯N inter-actions into sheets lying parallel to the (010) plane. The same N atom accepts two such hydrogen bonds.

No MeSH data available.


The molecular structure of the title compound showing 50% probability displacement ellipsoids for non-H atoms.
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Fap1: The molecular structure of the title compound showing 50% probability displacement ellipsoids for non-H atoms.


6-(4-Bromo-phen-yl)-3-methyl-7H-1,2,4-triazolo[3,4-b][1,3,4]thia-diazine.

Fun HK, Quah CK, Abdel-Aziz HA, Attia MI - Acta Crystallogr Sect E Struct Rep Online (2012)

The molecular structure of the title compound showing 50% probability displacement ellipsoids for non-H atoms.
© Copyright Policy - open-access
Related In: Results  -  Collection

License
Show All Figures
getmorefigures.php?uid=PMC3379277&req=5

Fap1: The molecular structure of the title compound showing 50% probability displacement ellipsoids for non-H atoms.
Bottom Line: In the title compound, C(11)H(9)BrN(4)S, the 1,2,4-triazole ring is essentially planar (r.m.s. deviation = 0.020 Å) and makes a dihedral angle of 29.1 (5)° with the bromo-benzene ring.The 3,6-dihydro-1,3,4-thia-diazine ring adopts a twist-boat conformation.The same N atom accepts two such hydrogen bonds.

View Article: PubMed Central - HTML - PubMed

ABSTRACT
In the title compound, C(11)H(9)BrN(4)S, the 1,2,4-triazole ring is essentially planar (r.m.s. deviation = 0.020 Å) and makes a dihedral angle of 29.1 (5)° with the bromo-benzene ring. The 3,6-dihydro-1,3,4-thia-diazine ring adopts a twist-boat conformation. In the crystal, mol-ecules are linked by C-H⋯N inter-actions into sheets lying parallel to the (010) plane. The same N atom accepts two such hydrogen bonds.

No MeSH data available.