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1-Allyl-3-methyl-3',5'-diphenyl-spiro-[quinoxaline-2(1H),2'(3'H)-[1,3,4]thia-diazole].

ABSTRACT: In the title spiro compound, C(25)H(22)N(4)S, the planar quinoxaline (r.m.s. deviation = 0.070?Å) and planar thia-diazole (r.m.s. deviation = 0.060?Å) ring systems share a common C atom; their mean planes are aligned at 89.7?(1)°. The thia-zole ring possesses two aromatic ring substituents and is nearly coplanar with these rings [the dihedral angles between the thia-diazole and phenyl rings are 5.7?(1) and 10.7?(1)°]. The allyl unit is disordered over two positions in a 0.65?(1):0.35?(1) ratio.

SUBMITTER: Anothane CA

PROVIDER: S-EPMC3011801 | biostudies-other | 2010

REPOSITORIES: biostudies-other

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1-Allyl-3-methyl-3',5'-diphenyl-spiro-[quinoxaline-2(1H),2'(3'H)-[1,3,4]thia-diazole].

Anothane Caleb Ahoya CA Bouhfid Rachid R Zouihri Hafid H Essassi El Mokhtar el M Ng Seik Weng SW

Acta crystallographica. Section E, Structure reports online 20101120 Pt 12

In the title spiro compound, C(25)H(22)N(4)S, the planar quinoxaline (r.m.s. deviation = 0.070 Å) and planar thia-diazole (r.m.s. deviation = 0.060 Å) ring systems share a common C atom; their mean planes are aligned at 89.7 (1)°. The thia-zole ring possesses two aromatic ring substituents and is nearly coplanar with these rings [the dihedral angles between the thia-diazole and phenyl rings are 5.7 (1) and 10.7 (1)°]. The allyl unit is disordered over two positions in a 0.65 (1):0.35 (1) ratio. ...[more]

PMID: 21589517

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1-Benzyl-3-methyl-3',5'-diphenyl-spiro-[quinoxaline-2(1H),2'(3'H)-1,3,4-thia-diazole].

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Project description:In the title compound, C(4)H(6)N(2)OS(2), the dihedral angle between the five-membered heterocyclic ring and the plane of the eth-oxy group is 4.9?(2)°. The 1,3,4-thiadiazole-2-thione unit is planar, with an r.m.s. deviation of 0.011?Å from the corresponding squares plane defined by the seven constituent atoms. In the crystal, pairs of N-H?S hydrogen bonds link the mol-ecules into inversion dimers.

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