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

Basu Baul TS, Paul A, Tiekink ER - Acta Crystallogr Sect E Struct Rep Online (2010)

Bottom Line: 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.

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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.

No MeSH data available.


Related in: MedlinePlus

Molecular structure of (I) showing atom-labelling scheme and displacement ellipsoids at the 50% probability level.
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Fap1: Molecular structure of (I) showing atom-labelling scheme and displacement ellipsoids at the 50% probability level.


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

Basu Baul TS, Paul A, Tiekink ER - Acta Crystallogr Sect E Struct Rep Online (2010)

Molecular structure of (I) showing atom-labelling scheme and displacement ellipsoids at the 50% probability level.
© Copyright Policy - open-access
Related In: Results  -  Collection

License
Show All Figures
getmorefigures.php?uid=PMC2983727&req=5

Fap1: Molecular structure of (I) showing atom-labelling scheme and displacement ellipsoids at the 50% probability level.
Bottom Line: 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.

View Article: PubMed Central - HTML - PubMed

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.

No MeSH data available.


Related in: MedlinePlus