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5-[(2-Bromo­phenyl­amino)methyl­ene]-2,2-dimethyl-1,3-dioxane-4,6-dione

✍ Scribed by Silva, Luiz Everson da ;Joussef, Antonio Carlos ;Nunes, Ricardo José ;Andrighetti-Fröhner, Carla Regina ;Bortoluzzi, Adailton José


Publisher
International Union of Crystallography
Year
2005
Tongue
English
Weight
359 KB
Volume
61
Category
Article
ISSN
1600-5368

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5-[(4-Methoxy­phenyl­amino)methyl­ene]-2
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In the title compound, C 14 H 15 NO 5 , the 1,3-dioxane-4,6-dione ring exhibits a half-chair conformation. The amino H atom has one intra-and one intermolecular contact to carbonyl O atoms, with OÁ Á ÁH distances of 2.11 (2) and 2.31 (2) A ˚.

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In the title compound C 7 H 9 NO 4 , the 1,3-dioxane-4,6-dione ring exhibits an envelope conformation. Intermolecular hydrogen bonds connect the molecules into chains. One intramolecular N-HÁ Á ÁO hydrogen bond to a carbonyl O atom is also observed, forming a six-membered ring.

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Single-crystal X-ray study T = 297 K Mean (C-C) = 0.004 A Disorder in main residue R factor = 0.076 wR factor = 0.204 Data-to-parameter ratio = 12.9 For details of how these key indicators were automatically derived from the article, see http://journals.iucr.org/e.