Single-crystal X-ray study T = 170 K Mean '(C±C) = 0.007 A Ê Disorder in main residue R factor = 0.050 wR factor = 0.148 Data-to-parameter ratio = 16.3 For details of how these key indicators were automatically derived from the article, see http://journals.iucr.org/e.
N-Butyl-4-[2-(3,4-dihydroxyphenyl)vinyl]pyridinium chloride
✍ Scribed by Kolev, Tsonko ;Berends, Thorsten ;Kleb, Dirk-Christian ;Preut, Hans ;Spiteller, Michael
- Publisher
- International Union of Crystallography
- Year
- 2003
- Tongue
- English
- Weight
- 146 KB
- Volume
- 59
- Category
- Article
- ISSN
- 1600-5368
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✦ Synopsis
Single-crystal X-ray study T = 291 K Mean '(C±C) = 0.003 A Ê R factor = 0.040 wR factor = 0.062 Data-to-parameter ratio = 19.1 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.
The title molecule, C 17 H 16 O 4 , is nearly planar, with a dihedral angle of 6.64 (6) between the two aromatic rings. The con®guration of the keto group with respect to the ole®nic double bond is s-cis. OÐHÁ Á ÁO and CÐHÁ Á Á% hydrogen bonds link the molecules to form layers parallel to the ab pla