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1.
Acta Crystallogr E Crystallogr Commun ; 76(Pt 6): 944-947, 2020 Jun 01.
Artigo em Inglês | MEDLINE | ID: mdl-32523769

RESUMO

In the title compound [Fe(bpe)(Hbpe)Au(CN)2][Au(CN)2]2·bpe·2H2O} n [where bpe = 1,2-bis-(pyridin-4-yl)ethene, C12H10N2], the FeII ion is coordinated in a distorted octa-hedral [FeN4O2] environment by two di-cyano-aurate anions, two water mol-ecules and two partially protonated 1,2-di(4-pyrid-yl)ethyl-ene mol-ecules. Di-cyano-aurate anions bridge the FeII cations, forming infinite chains, which propagate along the a-axis direction. The chains are connected via aurophilic inter-actions with two non-coordinated di-cyano-aurate anions for each FeII ion. The polymeric chains inter-act with each other via π-π stacking between the guest bpe mol-ecules and multiple hydrogen bonds.

2.
Acta Crystallogr E Crystallogr Commun ; 75(Pt 6): 812-815, 2019 Jun 01.
Artigo em Inglês | MEDLINE | ID: mdl-31391972

RESUMO

The title compound, C14H12N2O4, is a Schiff base that exists in the keto-enamine tautomeric form and adopts a Z configuration. The mol-ecule is almost planar, the rings making a dihedral angle of 4.99 (7)°. The mol-ecular structure is stabilized by an intra-molecular N-H⋯O hydrogen bond forming an S(6) ring motif. In the crystal, inversion-related mol-ecules are linked by pairs of O-H⋯O hydrogen bonds, forming dimers with an R 2 2(18) ring motif. The dimers are linked by pairs of C-H⋯O contacts with an R 2 2(10) ring motif, forming ribbons extended along the [20] direction. Hirshfeld surface analysis, two-dimensional fingerprint plots and the mol-ecular electrostatic potential surfaces were used to analyse the inter-molecular inter-actions present in the crystal, indicating that the most important contributions for the crystal packing are from H⋯H (33.9%), O⋯H/H⋯O (29.8%) and C⋯H/H⋯C (17.3%) inter-actions.

3.
Acta Crystallogr E Crystallogr Commun ; 75(Pt 8): 1205-1208, 2019 Aug 01.
Artigo em Inglês | MEDLINE | ID: mdl-31417793

RESUMO

In the title metal-organic framework, [Fe(C6H8N2)2{Cu(CN)2}2] n , the low-spin FeII ion lies at an inversion centre and displays an elongated octa-hedral [FeN6] coordination environment. The axial positions are occupied by two symmetry-related bridging 2-ethyl-pyrazine ligands, while the equatorial positions are occupied by four N atoms of two pairs of symmetry-related cyanide groups. The CuI centre is coordinated by three cyanide carbon atoms and one N atom of a bridging 2-ethyl-pyrazine mol-ecule, which form a tetra-hedral coordination environment. Two neighbouring Cu atoms have a short Cu⋯Cu contact [2.4662 (7) Å] and their coordination tetra-hedra are connected through a common edge between two C atoms of cyanide groups. Each Cu2(CN)2 unit, formed by two neighbouring Cu atoms bridged by two carbons from a pair of µ-CN groups, is connected to six FeII centres via two bridging 2-ethyl-pyrazine mol-ecules and four cyanide groups, resulting in the formation of a polymeric three-dimensional metal-organic coordination framework.

4.
Acta Crystallogr E Crystallogr Commun ; 74(Pt 12): 1895-1898, 2018 Dec 01.
Artigo em Inglês | MEDLINE | ID: mdl-30574396

RESUMO

In the title metal-organic framework, [Fe(C4H3BrN2)2{Cu(CN)2}2] n , the FeII cation is located on an inversion center and has a slightly elongated octa-hedral coordination environment [FeN6], ligated by two pyrazine N atoms of symmetry-related bridging 2-bromo-pyrazine mol-ecules in the axial positions and by four N atoms of pairs of symmetry-related cyanido groups in the equatorial positions. The CuI center has a fourfold coordination environment [CuC3N], with an almost perfect trigonal-pyramidal geometry, formed by three cyanido C atoms and an N atom of a bridging 2-bromo-pyrazine mol-ecule. Copper(I) centers related by a twofold rotation axis are bridged by two carbon atoms from a pair of µ-CN groups, resulting in Cu2(CN)2 units. Each Cu2(CN)2 unit is linked to six FeII cations via a pair of linear CN units, the pair of µ-CN groups and two bridging 2-bromo-pyrazine ligands, resulting in the formation of a metal-organic framework, which is additionally stabilized by the short Cu⋯Cu contacts of 2.4450 (7) Å.

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