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Crystal structure of aqua-(1H-pyrazole-?N2)(pyridine-2,6-di-carboxyl-ato-?3O2,N,O6)copper(II) dihydrate.

ABSTRACT: In the title compound, [Cu(C7H3NO4)(C3H4N2)(H2O)]·2H2O, the CuII atom is coordinated by three O atoms and two N atoms, provided by a tridentate pyridine-2,6-di-carboxyl-ate (pdc), one pyrazole and one water ligand, forming a slightly distorted square-pyramidal geometry [range of O-Cu-O and O-Cu-N bond angles = 79.55?(8)-166.22?(10)°]. The water mol-ecule is positioned at the apical position. In the crystal, the complex mol-ecule and the two crystallographically independent non-coordinating water mol-ecules are linked into a supra-molecular layer structure parallel to the ab plane via O-H?O and N-H?O hydrogen bonds.

SUBMITTER: Kim D

PROVIDER: S-EPMC5730243 | biostudies-other | 2017 Dec

REPOSITORIES: biostudies-other

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Crystal structure of aqua-(1H-pyrazole-κN2)(pyridine-2,6-di-carboxyl-ato-κ3O2,N,O6)copper(II) dihydrate.

Kim Daeyoung D Kang Sung Kwon SK

Acta crystallographica. Section E, Crystallographic communications 20171117 Pt 12

In the title compound, [Cu(C7H3NO4)(C3H4N2)(H2O)]·2H2O, the CuII atom is coordinated by three O atoms and two N atoms, provided by a tridentate pyridine-2,6-di-carboxyl-ate (pdc), one pyrazole and one water ligand, forming a slightly distorted square-pyramidal geometry [range of O-Cu-O and O-Cu-N bond angles = 79.55 (8)-166.22 (10)°]. The water mol-ecule is positioned at the apical position. In the ...[more]

PMID: 29250406

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Crystal structure of a heterometallic coordination polymer: catena-poly[[[tetra-aqua-cobalt(II)]-μ-pyridine-2,6-di-carboxyl-ato-calcium(II)-μ-pyridine-2,6-di-carboxyl-ato] dihydrate].

Project description:In the crystal of the title polymeric complex, {[CoCa(C7H3NO4)2(H2O)4]·2H2O} n (1), the CoII ion is N,O,O'-chelated by two pyridine-2,6-di-carboxyl-ate anions in a distorted N2O4 octa-hedral geometry, and two carboxyl-ate O atoms of pyridine-2,6-di-carboxyl-ate anions bridge tetra-aqua-calcium(II) units to form polymeric chains propagating along the b-axis direction. In the crystal, O-H⋯O and C-H⋯O hydrogen bonds, and offset π-π stacking inter-actions [inter-centroid distances = 3.551 (1) and 3.746 (1) Å] involving inversion-related pyridine rings link the polymeric chains and lattice water mol-ecules to form a supra-molecular three-dimensional framework.

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Crystal structure of aqua-trans-bis-(dimethyl sulfoxide-κO)(pyridine-2,6-di-carboxyl-ato-κ3O2,N,O6)nickel(II).

Project description:In the title complex, [Ni(C7H3NO4)(C2H6OS)2(H2O)], the NiII cation is situated on a twofold rotation axis and exhibits a distorted octa-hedral NO5 coordination environment defined by a tridentate pyridine-2,6-di-carb-oxy-lic acid dianion (dpa2-), two dimethyl sulfoxide (DMSO) mol-ecules, and a water mol-ecule. In the crystal, the complex mol-ecules are linked by O-H⋯O and C-H⋯O hydrogen bonds into a three-dimensional network whereby DMSO mol-ecules from neighboring complexes overlap to form layers parallel to (001), alternating with layers of NiII-dpa2- moieties. The title complex is isotypic with its cobalt(II) analogue.

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Poly[di-?(2)-aqua-?(5)-(pyridine-2,6-dicarboxyl-ato)-?(3)-(pyridine-2,6-dicarboxyl-ato)-cobalt(II)disodium].

Project description:In the title compound, [CoNa(2)(C(7)H(3)NO(4))(2)(H(2)O)(2)](n), the Co(II) atom is coordinated by two pyridine N atoms and four carboxyl-ate O atoms from two doubly deprotonated pyridine-2,6-dicarboxyl-ate ligands in a distorted octa-hedral geometry. One Na(+) cation is coordinated by three carboxyl-ate O atoms and two water mol-ecules and the other is coordinated by five carboxyl-ate O atoms and two water mol-ecules in an irregular geometry. The bis-(pyridine-2,6-dicarboxyl-ato)cobalt complex units are connected by Na(+) cations and bridging water mol-ecules into a three-dimensional coordination network. O-H?O hydrogen bonds are formed between the water mol-ecules and the carboxyl-ate O atoms.

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Poly[[tetra-aqua-bis-(μ(3)-pyridine-2,6-dicarboxyl-ato)(μ(2)-pyridine-2,6-dicarboxyl-ato)dilanthanum(III)] dihydrate].

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Crystal structure of tetra-aqua-bis(3,5-di-amino-4H-1,2,4-triazol-1-ium)cobalt(II) bis-[bis-(pyridine-2,6-di-carboxyl-ato)cobaltate(II)] dihydrate.

Project description:The asymmetric unit of the title compound, [Co(C2H6N5)2(H2O)4][Co(C7H3NO4)2]2·2H2O, features 1.5 Co(II) ions (one anionic complex and one half cationic complex) and one water mol-ecule. In the cationic complex, the Co(II) atom is located on an inversion centre and is coordinated by two triazolium cations and four water mol-ecules, adopting an octa-hedral geometry where the N atoms of the two triazolium cations occupy the axial positions and the O atoms of the four water mol-ecules the equatorial positions. The two triazole ligands are parallel offset (with a distance of 1.38 Å between their planes). In the anionic complex, the Co(II) ion is six-coordinated by two N and four O atoms of the two pyridine-2,6-di-carboxyl-ate anions, exhibiting a slightly distorted octa-hedral coordination geometry in which the mean plane of the two pyridine-2,6-di-carboxyl-ate anions are almost perpendicular to each other, making a dihedral angle of 85.87 (2)°. In the crystal, mol-ecules are linked into a three-dimensional network via C-H⋯O, C-H⋯N, O-H⋯O and N-H⋯O hydrogen bonds.

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Poly[?6-(naphthalene-2,6-di-carboxyl-ato)-bis-(aqua-lithium)].

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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[piperazinediium [[aqua-bismuth-ate(III)]-di-μ-pyridine-2,6-dicarboxyl-ato-bis-muthate(III)-di-μ-pyridine-2,6-dicarboxyl-ato] monohydrate].

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Di-?-hydroxido-bis-[aqua-(pyridine-2,6-dicarboxyl-ato)iron(III)] monohydrate.

Project description:In the dinuclear title complex, [Fe(2)(OH)(2)(C(7)H(3)NO(4))(2)(H(2)O)(2)]·H(2)O, the two Fe atoms are separated by 3.063?(1)?Å. Inter-molecular O-H?O hydrogen bonds form an extensive three-dimensional hydrogen-bonding network, which consolidates the crystal packing.

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Tetra-aqua-bis(3-fluoro-pyridine-4-carboxyl-ato-κN)zinc(II) dihydrate.

Project description:In the title compound, [Zn(C(6)H(3)FNO(2))(2)(H(2)O)(4)]·2H(2)O, the Zn(II) atom is octa-hedrally coordinated in a ZnO(4)N(2) environment by two 3-fluoro-pyridine-4-carboxyl-ate (3-fpy4-cbx) ligands and four water mol-ecules. The [Zn(3-fpy4-cbx)(2)(H(2)O)(4)] mol-ecules form a three-dimensional network through strong O-H⋯O and weak O-H⋯F hydrogen bonds between 3-fpy4-cbx and water mol-ecules. The crystal used for data collection was a twin, with the twin law corresponding to a 180° rotation about the real-space [001] axis. The major twin fraction refined to 0.795 (1).

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