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Crystal structure and Hirshfeld surface analysis of poly[tris-(μ₄-benzene-1,4-di-carboxyl-ato)tetra-kis-(di-methyl-formamide)-trinickel(II)]: a two-dimensional coordination network.

ABSTRACT: The crystal structure of the title compound, [Ni₃(C₈H₄O₄)₃(C₃H₇NO)₄], is a two-dimensional coordination network formed by trinuclear linear Ni₃(tp)₃(DMF)₄ units (tp = terephthalate = benzene-1,4-di-carboxyl-ate and DMF = di-methyl-formamide) displaying a characteristic coordination mode of acetate groups in polynuclear metal-organic compounds. Individual trinuclear units are connected through tp anions in a triangular network that forms layers. One of the DMF ligands points outwards and provides inter-actions with equivalent planes above and below, leaving the second ligand in a structural void much larger than the DMF mol-ecule, which shows positional disorder. Parallel planes are connected mainly through weak C-H⋯O, H⋯H and H⋯C inter-actions between DMF mol-ecules, as shown by Hirshfeld surface analysis.

SUBMITTER: Ajpi C

PROVIDER: S-EPMC6895950 | biostudies-literature |

REPOSITORIES: biostudies-literature

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Poly[tris-(?-2-amino-benzene-1,4-dicarboxyl-ato)tetra-kis-(N,N-dimethyl-formamide)-diyttrium(III)].

Project description:The asymmetric unit of the title coordination polymer, [Y(2)(C(8)H(5)NO(4))(3)(C(3)H(7)NO)(4)](n), contains one Y(3+) ion, three half-mol-ecules of the 2-amino-benzene-1,4-dicarboxyl-ate (abz) dianion and two O-bonded N,N-dimethyl-formamide (DMF) mol-ecules. Each abz half-mol-ecule is completed by crystallographic inversion symmetry and its -NH(2) group is disordered in each case [relative occupancies within the asymmetric unit = 0.462?(18):0.538?(18), 0.93?(2):0.07?(2) and 0.828?(16):0.172?(16)]. The combination of disorder and crystal symmetry means that each of the four C-H atoms of the benzene ring of each of the dianions bears a statistical fraction of an -NH(2) group. The coordination geometry of the yttrium ion is a fairly regular YO(8) square anti-prism arising from its coordination by two DMF mol-ecules, four monodentate abz dianions and one O,O-bidentate abz dianion. The polymeric building unit is a dimeric paddle-wheel with two metal ions linked by four bridging abz dianions. Further bridging linkages connect the dimers into a three-dimensional framework containing voids in which highly disordered DMF mol-ecules are presumed to reside.

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Poly[[(?2-benzene-1,3-di-carboxyl-ato){?2-1,4-bis-[(1H-imidazol-1-yl)meth-yl]benzene}-cadmium] di-methyl-formamide monosolvate].

Project description:The title coordination polymer, {[Cd(C8H4O4)(C14H14N4)]·C3H7NO} n , was synthesized by solvothermal reaction of metallic cadmium with the semi-rigid neutral ligand 1,4-bis-[(1H-imidazol-1-yl)meth-yl]benzene (bix) and the V-shaped benzene-1,3-di-carb-oxy-lic acid (m-H2bdc). The structure exhibits a pseudo-C-centring which is almost fulfilled by the polymeric metal complex but not by the solvent dimethylform-amide (DMF) mol-ecules. The asymmetric unit contains two independent Cd(II) ions, two m-bdc(2-) ligands, one and two half bix ligands, and two solvent DMF mol-ecules. The Cd(II) ions are both five-coordinated by three O atoms from two different m-bdc(2-) ligands and two N atoms from two different bix ligands in a distorted square-pyramidal geometry. The m-bdc(2-) ligands adopt a chelate-monodentate coordination mode, connecting neighboring Cd(II) ions into a zigzag chain parallel to [110]. Adjacent chains are further cross-linked by bix ligands, giving rise to a puckered sheet nearly perpendicular to the chain direction. Thus, each Cd(II) ion is connected to four neighboring Cd(II) ions through two m-bdc(2-) anions and two bix ligands, giving rise to the final non-inter-penetrating uninodal layer with sql (4,4) topology.

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Crystal structure of poly[di-aqua-bis-(?5-benzene-1,3-di-carboxyl-ato)(N,N-di-methyl-formamide)-cadmium(II)disodium(I)].

Project description:The title compound, [CdNa2(C8H4O4)2(C3H7NO)(H2O)2] n or [CdNa2(1,3-bdc)2(DMF)(H2O)2] n , is a new CdII-NaI heterobimetallic coordination polymer. The asymmetric unit consists of one CdII atom, two NaI atoms, two 1,3-bdc ligands, two coordinated water mol-ecules and one coordinated DMF mol-ecule. The CdII atom exhibits a seven-coordinate geometry, while the NaI atoms can be considered to be penta-coordinate. The metal ions and their symmetry-related equivalents are connected via chelating-bridging carboxyl-ate groups of the 1,3-bdc ligands to generate a three-dimensional framework. In the crystal, there are classical O-H?O hydrogen bonds involving the coordinated water mol-ecules and the 1,3-bdc carboxyl-ate groups and ?-? stacking between the benzene rings of the 1,3-bdc ligands present within the frameworks.

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Poly[[di-aqua-(μ4-benzene-1,2,4,5-tetra-carboxyl-ato)tetrakis-(1H-imidazole-κN (3))dicopper(II)] N,N-di-methyl-formamide monosolvate].

Project description:The asymmetric unit of the polymeric title compound, {[Cu2(C10H2O8)(C3H4N2)4(H2O)2]·C3H7NO} n , contains two independent Cu(II) ions, each coordinated by one water mol-ecule, two imidazole N atoms and two carboxyl-ate O atoms from benzene-1,2,4,5-tetra-carboxyl-ate anions in a distorted square-pyramidal geometry. The benzene-1,2,4,5-tetra-carboxyl-ate anion bridges four Cu(II) ions, forming a polymeric sheet parallel to (010). In the crystal, extensive N-H⋯O and O-H⋯O hydrogen bonds link the polymeric sheets and di-methyl-formamide solvent mol-ecules into a three-dimensional supra-molecular structure.

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Triimidazolium tris-(pyridine-2,6-di-carboxyl-ato)dysprosate(III) trihydrate.

Project description:The structure of the title compound, (C(3)N(2)H(5))(3)[Dy(C(7)H(3)NO(4))(3)]·3H(2)O, contains a mononuclear Dy(III) complex with the rare earth metal cation in a distorted tricapped trigonal-prismatic environment. The Dy(III) ion is in each case O,N,O'-chelated by three tridentate pyridine-2,6-dicarboxyl-ate anions. Three protonated imidazole mol-ecules act as counter-cations and three lattice water mol-ecules are also present. Numerous N-H⋯O and O-H⋯O hydrogen bonding inter-actions, some of which are bifurcated, help to stabilize the packing of the structure.

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Poly[[nona-aqua-bis-(?-5-hy-droxy-benzene-1,3-di-carboxyl-ato)(5-hy-droxy-benzene-1,3-di-carboxyl-ato)dicerium(III)] hexa-hydrate].

Project description:In the title coordination polymer, {[Ce2(C8H4O5)3(H2O)9]·6H2O} n , the asymmetric unit is formed by two Ce(III) atoms, three 5-hy-droxy-benzene-1,3-di-carboxyl-ate ligands, nine coordinating water mol-ecules and six water mol-ecules of crystallization. The two Ce(III) atoms are bridged by 5-hy-droxy-benzene-1,3-di-carboxyl-ate ligands acting in a bis-bidentate coordination mode, generating infinite chains along [101]. Both independent metal atoms are nine-coordinated, one by four O atoms from the carboxyl-ate groups of two bridging 5-hy-droxy-benzene-1,3-di-carboxyl-ate ligands and five O atoms from water mol-ecules, generating a tricapped trigonal-prismatic geometry. The coordination around the second Ce(III) atom is similar, except that one of the water mol-ecules is replaced by an O atom from an additional 5-hy-droxy-benzene-1,3-di-carboxyl-ate ligand acting in a monodentate coordination mode and forming a capped square-anti-prismatic geometry.

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Poly[diaqua-(?(5)-1H-imidazole-4,5-di-carboxyl-ato)(?(4)-1H-imidazole-4,5-di-carboxyl-ato)tris-ilver(I)ytterbium(III)].

Project description:The asymmetric unit of the title compound, [Ag(3)Yb(C(5)HN(2)O(4))(2)(H(2)O)(2)](n), contains three Ag(I) ions, one Yb(III) ion, two imidazole-4,5-dicarboxyl-ate ligands and two coordinating water mol-ecules. The Yb(III) atom is eight-coordinated, in a bicapped trigonal prismatic coordination geometry, by six O atoms from three imidazole-4,5-dicarboxyl-ate ligands and two coordinating water mol-ecules. The two-coordinated Ag(I) ions exhibit three types of coordination environments. One Ag(I) atom is bonded to two N atoms from two different imidazole-4,5-dicarboxyl-ate ligands. The other two Ag(I) atoms are each coordinated by one O atom and one N atom from two different imidazole-4,5-dicarboxyl-ate ligands. These metal coordination units are connected by bridging imidazole-4,5-dicarboxyl-ate ligands, generating a two-dimensional heterometallic layer. These layers are stacked along the a axis via O-H?O hydrogen-bonding inter-actions to generate a three-dimensional framework.

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Di-aqua-bis-(pyridine-2-carboxyl-ato-?(2) N,O)zinc di-methyl-formamide hemisolvate.

Project description:In the title compound, [Zn(C6H4NO2)2(H2O)2]·0.5C3H7NO, the Zn(II) ion is coordinated in a distorted octa-hedral N2O4 environment by two N,O-chelating pyridine-2-carboxyl-ate ligands and two cis water mol-ecules. The chelating pyridine-2-carboxyl-ate ligands create two five-membered Zn/N/C/C/O rings, which form a dihedral angle of 86.4?(2)°. In the crystal, O-H?O hydrogen bonds link the complex mol-ecules into a two-dimensional network parallel to (100). The di-methyl-formamide solvent mol-ecule is disordered about a twofold rotation axis.

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Poly[tetra-kis-(?-benzene-1,2-dicarboxyl-ato)di-?-formato-penta-strontium(II)].

Project description:The asymmetric unit of the title complex, [Sr(5)(C(8)H(4)O(4))(4)(HCO(2))(2)](n), contains three independent Sr(II) ions, one of which is located on an inversion center. In the crystal, the Sr(II) ions (coordination numbers 8, 9 and 12) are connected by two crystallographically distinct benzene-1,2-dicarboxyl-ate ligands and one formate ligand, forming a two-dimensional polymer parallel to (001).

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Poly[(?6-benzene-1,3,5-tri-carboxyl-ato-?(6) O (1):O (1'):O (3):O (3'):O (5):O (5'))tris-(N,N-di-methyl-formamide-?O)tris-(?3-formato-?(3) O:O:O')trizinc(II)].

Project description:The asymmetric unit of the title compound, [Zn3(HCO2)3(C9H3O6)(C3H7NO)3] n , contains one Zn ion, one formate ligand, one N,N-di-methyl-formamide (DMF) ligand and one-third of a benzene-1,3,5-tri-carboxyl-ate (btc) ligand situated on a crystallographic 3 axis. Each Zn(II) atom is coordinated by one O atom from a DMF ligand, two O atoms from two btc ligands and three O atoms from three formate ligands in a distorted octa-hedral geometry. The Zn(II) atoms are connected by the formate and btc ligands, forming hexanuclear cores, which are linked by btc ligands, constructing a two-dimensional layered network along the ab plane.

| S-EPMC3919546 | biostudies-literature