Abstract:The title compound, C20H22O6, was obtained by the reaction of ethyl 4-hydroxybenzoate with 1,2-dichloroethane in dimethylformamide. The molecule lies around the crystallographic inversion center at (0,0,0), with the asymmetric unit consisting of one half of the molecule. The two ethyl groups are in trans positions. The ethyl, carboxyl, aryl and O—CH2 groups are coplanar with an r.m.s. deviation of 0.0208 (9) Å. The whole molecule is planar with an r.m.s. deviation of 0.0238 (9) Å for the 19 atoms used i… Show more
Key indicators: single-crystal X-ray study; T = 298 K; mean (C-C) = 0.002 Å; R factor = 0.023; wR factor = 0.067; data-to-parameter ratio = 19.7.The title salt, [K 2 (C 16 H 12 O 6 )] n , was obtained by the reaction of 1,2-bis[4-(ethyl-carboxyl)-phenoxyl]ethane with KOH in water. The anion lies on a crystallographic inversion center, which is located at the mid-point of the central C-C bond. The K + cation is coordinated by six O atoms, two from the chelating carboxylate group of the anion and four from four neighboring and monodentately binding anions, giving rise to an irregular [KO 6 ] coordination polyhedron. The coordination mode of the cation leads to the formation of K/O layers parallel to (100). These layers are linked by the nearly coplanar anions (r.m.s. deviation of 0.064 Å of the carboxyl, aryl and O-CH 2 groups from the least-squares plane) into a three-dimentional network.
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Key indicators: single-crystal X-ray study; T = 298 K; mean (C-C) = 0.002 Å; R factor = 0.023; wR factor = 0.067; data-to-parameter ratio = 19.7.The title salt, [K 2 (C 16 H 12 O 6 )] n , was obtained by the reaction of 1,2-bis[4-(ethyl-carboxyl)-phenoxyl]ethane with KOH in water. The anion lies on a crystallographic inversion center, which is located at the mid-point of the central C-C bond. The K + cation is coordinated by six O atoms, two from the chelating carboxylate group of the anion and four from four neighboring and monodentately binding anions, giving rise to an irregular [KO 6 ] coordination polyhedron. The coordination mode of the cation leads to the formation of K/O layers parallel to (100). These layers are linked by the nearly coplanar anions (r.m.s. deviation of 0.064 Å of the carboxyl, aryl and O-CH 2 groups from the least-squares plane) into a three-dimentional network.
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The complete molecule of the title compound, C26H34O6, is generated by a crystallographic centre of symmetry and the central octyl chain adopts an extended conformation. In the extended structure, weak C—H...π interactions link the molecules.
[C19H20O6], monoclinic, C2/c (no. 15), a = 22.467(2) Å, b = 4.9925(5) Å, c = 15.8059(17) Å, β = 108.500(1)°, V = 1681.3(3) Å3, Z = 4, R
gt(F) = 0.0309, wR
ref(F
2) = 0.0852, T = 296(2) K.
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