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4-[(E)-(5-tert-Butyl-2-hydroxy-phen-yl)diazen-yl]benzoic acid benzene hemisolvate.

ABSTRACT: The title benzene hemisolvate, C(17)H(18)N(2)O(3)·0.5C(6)H(6), features an essentially planar (the r.m.s. deviation of the non-H atoms, excluding methyl-C, is 0.071?Å) diazo mol-ecule with an E conformation about the N=N bond, and a half-mol-ecule of benzene disposed about a centre of inversion. The dihedral angle formed between the benzene rings of the diazo mol-ecule is 7.69?(12)°. In the crystal, centrosymmetrically related dimers associate via the eight-membered carboxylic acid dimer synthon, {?HOC(=O)}(2), and these are connected into a supra-molecular chain along the b axis via C-H?O contacts.

SUBMITTER: Basu Baul TS

PROVIDER: S-EPMC2983727 | biostudies-literature | 2010 Feb

REPOSITORIES: biostudies-literature

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4-[(E)-(5-tert-Butyl-2-hydroxy-phen-yl)diazen-yl]benzoic acid benzene hemisolvate.

Basu Baul Tushar S TS Paul Anup A Tiekink Edward R T ER

Acta crystallographica. Section E, Structure reports online 20100206 Pt 3

The title benzene hemisolvate, C(17)H(18)N(2)O(3)·0.5C(6)H(6), features an essentially planar (the r.m.s. deviation of the non-H atoms, excluding methyl-C, is 0.071 Å) diazo mol-ecule with an E conformation about the N=N bond, and a half-mol-ecule of benzene disposed about a centre of inversion. The dihedral angle formed between the benzene rings of the diazo mol-ecule is 7.69 (12)°. In the crystal, centrosymmetrically related dimers associate via the eight-membered carboxylic acid dimer synthon ...[more]

PMID: 21580311

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2-[(E)-(5-tert-Butyl-2-hydroxy-phen-yl)-diazen-yl]benzoic acid.

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