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Журнал структурной химии/2015/№ 6/

CRYSTAL STRUCTURES OF A FAMILY OF LAYERED COORDINATION POLYMERS CONTAINING DIVALENT METAL IONS (Mn2+, Co2+, Ni2+ AND Zn2+) AND THE 3-AMINO 4-METHYL BENZOATE ION

The syntheses and crystal structures of the layered coordination polymers M(C8H8NO2)2 [M = Mn (1), Co (2), Ni (3) and Zn (4)] are described. These isostructural compounds contain centrosymmetric trans-MN2O4 octahedra as parts of infinite sheets; the ligand bonds to three adjacent metal ions in |i3-N,O,O' mode from both its carboxylate O atoms and its amine N atom. In each case, weak intra-sheet N—H-O and C—H-O hydrogen bonds may help to consolidate the structure. Crystal data: 1, C16H16MnN2O4, Mr = 355.25, monoclinic, P21/c (No. 14), a = 10.6534(2) Å, b = 4.3990(1) А, c = 15.5733(5) Å, 0 = 95.1827(10)°, V = 726.85(3) Å3, Z = 2, R(F) = 0.026, wR(F2) = 0.067. 2, C16H16CoN2O4, Mr = 359.24, mono-clinic, P21/c (No. 14), a = 10.6131(10) Å, b = 4.3374(4) А, c = 15.3556(17) Å, P = 95.473(4)°, V = 703.65(12) Å3, Z = 2, R(F) = 0.041, wR(F2) = 0.091. 3, C16H16N2NiO4, Mr = 359.02, monoclinic, P21/c (No. 14), a = 10.6374(4) Å, b = 4.2964(2) А, c = 15.2827(8) Å, P = 95.9744(14)°, V = 694.66(6) Å3, Z = 2, R(F) = 0.028, wR(F2) = 0.070. 4, C16H16N2O4Zn, Mr = 365.68, monoclinic, P21/c (No. 14), a = 10.6385(5) Å, b = 4.2967(3) А, c = 15.2844(8) Å, P = 95.941(3)°, V = 694.89(7) Å3, Z = 2, R(F) = 0.038, wR(F2) = 0.107.

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2015. 56, 6 UDC 548.73:541.49 CRYSTAL STRUCTURES OF A FAMILY OF LAYERED COORDINATION POLYMERS CONTAINING DIVALENT METAL IONS (Mn2+, Co2+, Ni2+ AND Zn2+) AND THE 3-AMINO 4-METHYL BENZOATE ION M.K. Khosa1, P.T. Wood2, S.M. Humphrey3, W.T.A. Harrison4 1Department of Chemistry, Government College University, Faisalabad, Pakistan E-mail: mkhosapk@yahoo.com 4Department of Chemistry, University of Aberdeen, Aberdeen, Scotland E-mail: w.harrison@abdn.ac.uk Received March, 14, 2014 The syntheses and crystal structures of the layered coordination polymers M(C8H8NO2)2 [M = Mn (1), Co (2), Ni (3) and Zn (4)] are described. <...> These isostructural compounds contain centrosymmetric trans-MN2O4 octahedra as parts of infinite sheets; the ligand bonds to three adjacent metal ions in 3-N,O,O mode from both its carboxylate O atoms and its amine N atom. <...> INTRODUCTION The benzoate anion, C7H5O2 , is a very familiar ligand in coordination chemistry, with over 1200 crystal structures reported in the Cambridge Database (version 5.31 with updates to 19 February 2014) [ 1 ] for first-row transition metals. <...> Its bonding modes include monodentate-O, chelating-O,O, bridging 2-O,O and combined chelating and bridging modes. <...> Amine derivatives of benzoic acid provide further structural variety, in which the —NH2 group can form hydrogen bonds to nearby acceptor atoms and/or bond to another metal ion (as a bridging ligand), but these have been much less studied: the Cambridge Database shows 13, 9 and 60 crystal structures for the ortho, meta and para amino benzoate isomers, respectively, in combination with first-row transition metals. Khosa M.K., Wood P.T., Humphrey S.M., Harrison W.T.A., 2015 O and C—H O hydrogen bonds may help to i = 95.1827(10), 2Department of Chemistry, University of Cambridge, Cambridge, UK 3Department of Chemistry and Biochemistry, The University of Texas at Austin, University Station, Austin, Texas, USA - – - . 1183 – 1188 1184 M.K. KHOSA, P.T. WOOD, S.M. HUMPHREY, W.T.A. HARRISON As part of our investigations in this area, we now describe the hydrothermal syntheses and crystal structures of the family of isostructural layered coordination networks M(C8H8NO2)2 [M = Mn <...>
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