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2-(3,4-Di­hydroxy­phenyl)­ethyl­ammonium 3,5-di­nitro­benzoate

✍ Scribed by Ohba, Shigeru ;Ito, Yoshikatsu


Publisher
International Union of Crystallography
Year
2002
Tongue
English
Weight
288 KB
Volume
58
Category
Article
ISSN
1600-5368

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Single-crystal X-ray study T = 250 K Mean '(C±C) = 0.003 A Ê R factor = 0.044 wR factor = 0.125 Data-to-parameter ratio = 12.6 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) = 0.003 A Ê R factor = 0.033 wR factor = 0.090 Data-to-parameter ratio = 7.5 For details of how these key indicators were automatically derived from the article, see http://journals.iucr.org/e.

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The title compound, C 11 H 12 O 4 , was prepared from the Knoevenagel condensation reaction of 3,4-dihydroxybenzaldehyde and monoethyl malonate. The almost planar molecule is the E isomer.

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Na + ÁC 7 H 3 N 2 O 6 À , was obtained by evaporation at room temperature of an aqueous solution of ethylenediammonium 3,5-dinitrobenzoate in sodium hydroxide. The structure is trigonal and the benzoate ion has twofold crystallographic symmetry.

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