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Diaqua-(5-carb-oxy-benzene-1,3-dicarboxyl-ato-?O(1))[8-ethyl-5-oxo-2-(piperazin-4-ium-1-yl)-5,8-dihydro-pyrido[2,3-d]pyrimidine-6-carboxyl-ato-?(2)O(5),O(6)]zinc monohydrate.

ABSTRACT: In the title compound, [Zn(C(14)H(17)N(5)O(3))(C(9)H(4)O(6))(H(2)O)(2)]·H(2)O, the complex mol-ecule exists in a zwitterionic form. The Zn(II) ion exhibits a distorted tetra-gonal-pyramidal geometry, being coordinated by two O atoms from the zwitterionic 8-ethyl-5-oxo-2-(piperazin-4-ium-1-yl)-5,8-dihydro-pyrido[2,3-d]pyrimidine-6-carboxyl-ate (L) ligand, one O atom from the 5-carb-oxy-benzene-1,3-dicarboxyl-ate dianion, [Hbtc](2-), and two O atoms from two aqua ligands. In the crystal, N-H?O and O-H?O hydrogen bonds link the components into a three-dimensional structure. The crystal packing exhibits ?-? inter-actions between the aromatic rings, with centroid-centroid distances in the range 3.466?(3)-3.667?(3)?Å.

SUBMITTER: Ye ZL

PROVIDER: S-EPMC3569215 | biostudies-literature | 2013 Feb

REPOSITORIES: biostudies-literature

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Diaqua-(5-carb-oxy-benzene-1,3-dicarboxyl-ato-κO(1))[8-ethyl-5-oxo-2-(piperazin-4-ium-1-yl)-5,8-dihydro-pyrido[2,3-d]pyrimidine-6-carboxyl-ato-κ(2)O(5),O(6)]zinc monohydrate.

Ye Zhong-Li ZL Xin Guang-Hua GH Zhang Fu-Tian FT Xiao Dong-Rong DR

Acta crystallographica. Section E, Structure reports online 20130131 Pt 2

In the title compound, [Zn(C(14)H(17)N(5)O(3))(C(9)H(4)O(6))(H(2)O)(2)]·H(2)O, the complex mol-ecule exists in a zwitterionic form. The Zn(II) ion exhibits a distorted tetra-gonal-pyramidal geometry, being coordinated by two O atoms from the zwitterionic 8-ethyl-5-oxo-2-(piperazin-4-ium-1-yl)-5,8-dihydro-pyrido[2,3-d]pyrimidine-6-carboxyl-ate (L) ligand, one O atom from the 5-carb-oxy-benzene-1,3-dicarboxyl-ate dianion, [Hbtc](2-), and two O atoms from two aqua ligands. In the crystal, N-H⋯O and ...[more]

PMID: 23424417

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Diaqua-bis-[8-ethyl-5-oxo-2-(piperazin-4-ium-1-yl)-5,8-dihydro-pyrido[2,3-d]pyrimidine-6-carboxyl-ato]copper(II) bis[4-(4-carboxyphenoxy)benzoate].

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Project description:In the title compound, {[Mn(C(14)H(16)N(5)O(3))(2)]·2H(2)O}(n), the Mn(II) atom (site symmetry ) exhibits a distorted trans-MnN(2)O(4) octa-hedral geometry defined by two monodentate N-bonded and two bidentate O,O'-bonded 8-ethyl-5-oxo-2-(piperazin-1-yl)-5,8-dihydro-pyrido[2,3-d]pyrimidine-6-carboxyl-ate anions. An N-H?O hydrogen bond is present in the crystal structure. The extended two-dimensional structure is a square grid and the disordered uncoordinated water mol-ecules occupy cavities within the grid.

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Project description:The title compound, [Mg(C(6)H(5)N(2)O(4))(2)(H(2)O)(2)], was prepared by reaction of Mg(NO(3))(2) and 2-methyl-1H-imidazole-4,5-dicarboxylic acid under hydro-thermal conditions. The Mg(II) atom lies on an inversion centre and displays a distorted octa-hedral coordination geometry. An extended three-dimensional network of inter-molecular O-H?O and N-H?O hydrogen bonds stabilizes the crystal structure.

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Poly[[diaqua-(3-carb-oxy-5-nitro-ben-zo-ato)(?-5-nitro-benzene-1,3-dicarboxyl-ato)neodymium(III)] 2.5-hydrate].

Project description:In the title compound, {[Nd(C(8)H(3)NO(6))(C(8)H(4)NO(6))(H(2)O)(2)]·2.5H(2)O}(n), the Nd(II) ion is nine-coordinated by seven O atoms from five carboxyl-ate groups and two water mol-ecules. The [Nd(C(8)H(3)NO(6))(H(2)O)(2)](2+) units are bridged by 5-nitro-isophthalate dianions, forming polymeric sheets parallel to the ab plane. The polymeric sheets are linked into a three-dimensional network by O-H?O and C-H?O hydrogen bonds, and ?-? inter-actions [centroid-centroid distance = 3.5533?(11)?Å]. The 5-nitro-isophthalate(1-) anion is disordered over three positions with an occupancy ratio of 0.68:0.23:0.09. Two of the uncoordinated water mol-ecules are disordered over two positions, with occupancy ratios of 0.722?(15):0.278?(15) and 0.279?(6):0.221?(6), respectively.

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