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2-Methyl-3-(10H-pheno-thia-zin-10-yl)buta-1,3-diene-1,1,4,4-tetra-carbo-nitrile.

ABSTRACT: In the title compound, C21H11N5S, the pheno-thia-zine unit has a butterfly structure, and the central six-membered ring adopts a boat conformation. The dihedral angle between the benzene rings is 127.64?(6)°, which is smaller than those reported for similar compounds because of the steric repulsion between the pheno-thia-zine and its tetra-cyano-1,3-butadiene substituent. The di-cyano-vinyl groups are almost orthogonal to one another, making a dihedral angle of 80.58?(6)°. In the crystal, the mol-ecules are aligned along the b axis. Four kinds of weak C-H?N inter-actions are recognized, one of which connects the mol-ecules into a one-dimensional array and the remaining three link these arrays.

SUBMITTER: Okuno T

PROVIDER: S-EPMC3647861 | biostudies-other | 2013 May

REPOSITORIES: biostudies-other

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2-Methyl-3-(10H-pheno-thia-zin-10-yl)buta-1,3-diene-1,1,4,4-tetra-carbo-nitrile.

Okuno Tsunehisa T Iwahashi Hirokazu H

Acta crystallographica. Section E, Structure reports online 20130405 Pt 5

In the title compound, C21H11N5S, the pheno-thia-zine unit has a butterfly structure, and the central six-membered ring adopts a boat conformation. The dihedral angle between the benzene rings is 127.64 (6)°, which is smaller than those reported for similar compounds because of the steric repulsion between the pheno-thia-zine and its tetra-cyano-1,3-butadiene substituent. The di-cyano-vinyl groups are almost orthogonal to one another, making a dihedral angle of 80.58 (6)°. In the crystal, the mo ...[more]

PMID: 23723827

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