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N-(2-Methyl-phen-yl)-1,2-benzoselen-azol-3(2H)-one.

ABSTRACT: IN THE TITLE EBSELEN [SYSTEMATIC NAME: (2-phenyl-1,2-benzoisoselenazol-3-(2H)-one)] analogue, C14H11NOSe, the benzisoselenazolyl moiety (r.m.s. deviation = 0.0209?Å) is nearly perpendicular to the N-arenyl ring, making a dihedral angle of 78.15?(11)°. In the crystal, mol-ecules are linked by C-H?O and Se?O inter-actions into chains along the c-axis direction. The Se?O distance [2.733?(3)?Å] is longer than that in Ebselen (2.571?(3)?Å].

SUBMITTER: Zhu X

PROVIDER: S-EPMC3790406 | biostudies-literature | 2013

REPOSITORIES: biostudies-literature

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N-(2-Methyl-phen-yl)-1,2-benzoselen-azol-3(2H)-one.

Zhu Xu X Xu Ying Y Han Hongfei H Guo Zhiqiang Z Wei Xuehong X

Acta crystallographica. Section E, Structure reports online 20130912 Pt 10

IN THE TITLE EBSELEN [SYSTEMATIC NAME: (2-phenyl-1,2-benzoisoselenazol-3-(2H)-one)] analogue, C14H11NOSe, the benzisoselenazolyl moiety (r.m.s. deviation = 0.0209 Å) is nearly perpendicular to the N-arenyl ring, making a dihedral angle of 78.15 (11)°. In the crystal, mol-ecules are linked by C-H⋯O and Se⋯O inter-actions into chains along the c-axis direction. The Se⋯O distance [2.733 (3) Å] is longer than that in Ebselen (2.571 (3) Å]. ...[more]

PMID: 24098225

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