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An axially chiral 1,2-diketone: 1-(3,4-di­methoxy­phenyl)­propane-1,2-dione

✍ Scribed by Hartung, Jens ;Špehar, Kristina ;Svoboda, Ingrid ;Fuess, Hartmut

Publisher
International Union of Crystallography
Year
2004
Tongue
English
Weight
122 KB
Volume
60
Category
Article
ISSN
1600-5368

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✦ Synopsis

Single-crystal X-ray study T = 298 K Mean '(C±C) = 0.003 A Ê R factor = 0.044 wR factor = 0.134 Data-to-parameter ratio = 15.1 For details of how these key indicators were automatically derived from the article, see http://journals.iucr.org/e.

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Single-crystal X-ray study T = 298 K Mean '(C±C) = 0.005 A Ê R factor = 0.031 wR factor = 0.085 Data-to-parameter ratio = 8.3 For details of how these key indicators were automatically derived from the article, see http://journals.iucr.org/e.

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Single-crystal X-ray study T = 183 K Mean '(C±C) = 0.003 A Ê R factor = 0.051 wR factor = 0.123 Data-to-parameter ratio = 12.2 For details of how these key indicators were automatically derived from the article, see http://journals.iucr.org/e.

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In the crystals of the title compound, C 19 H 24 O 8 , the molecules adopt a conformation in which the bulky 2,6-dimethoxyphenoxy and 4-hydroxy-3,5-dimethoxyphenyl groups are distant from each other. The O(phenoxy)ÐCÐCÐC(phenyl) torsion angle between these groups is À177.27 (10) . The conformation i

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In the title molecule, C 9 H 8 NO 2 Cl, the dihedral angle between the aromatic ring and propan-2-one oxime moiety is 54.05 (4) . In the crystal structure, the molecules exist as OÐHÁ Á ÁN hydrogen-bonded dimers around the inversion centres.