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

ABSTRACT: In the title spiro compound, C(29)H(24)N(4)S, the quinoxaline and thia-diazole ring systems share a common C atom; their mean planes are aligned at 87.0?(1)° in one mol-ecule and at 84.1?(1)° in the other independent mol-ecule. The thia-zole ring possesses two aromatic ring substituents and is roughly coplanar with these rings [the dihedral angles between the thia-diazole and phenyl rings are 10.7?(1) and 11.7?(1)° in one mol-ecule, and 16.8?(1) and 17.7?(1)° in the other]. The aromatic ring of the benzyl unit of one mol-ecule is disordered over two orientations in a 1:1 ratio.

SUBMITTER: Anothane CA

PROVIDER: S-EPMC3254451 | biostudies-literature | 2012 Jan

REPOSITORIES: biostudies-literature

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

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

Acta crystallographica. Section E, Structure reports online 20111214 Pt 1

In the title spiro compound, C(29)H(24)N(4)S, the quinoxaline and thia-diazole ring systems share a common C atom; their mean planes are aligned at 87.0 (1)° in one mol-ecule and at 84.1 (1)° in the other independent mol-ecule. The thia-zole ring possesses two aromatic ring substituents and is roughly coplanar with these rings [the dihedral angles between the thia-diazole and phenyl rings are 10.7 (1) and 11.7 (1)° in one mol-ecule, and 16.8 (1) and 17.7 (1)° in the other]. The aromatic ring of ...[more]

PMID: 22259390

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

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Project description:The title mol-ecule, C(11)H(12)N(2)OS(2), is twisted with a dihedral angle of 83.63?(12)° between the 1,3,4-thia-diazole and benzene rings. The meth-oxy group deviates slightly from the attached benzene ring, with a C-C-O-C torsion angle of 4.2?(4)°. In the crystal, mol-ecules are linked by weak C-H?N inter-actions and stacked along the c axis.

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Project description:In the title mol-ecule, C(9)H(6)BrN(3)OS(2), the dihedral angle between the benzene ring and the five-membered ring is 5.5?(3)°. An intra-molecular O-H?N hydrogen bond forms an S(6) ring motif. In the crystal, N-H?S hydrogen bonds link mol-ecules into centrosymmetric dimers creating R(2) (2)(8) ring motifs. In addition, there are inter-molecular S?S [3.430?(2)?Å] contacts. The crystal used was a non-merohedral twin with a ratio of 0.113?(3):0.887?(3) for the components.

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