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1.
Acta Crystallogr E Crystallogr Commun ; 75(Pt 1): 81-85, 2019 Jan 01.
Article in English | MEDLINE | ID: mdl-30713739

ABSTRACT

In the mol-ecule of the title compound, C16H20N2O6S2, the mid-point of the C-C bond of the central ethane moiety is located on a twofold rotation axis. In the crystal, mol-ecules are linked by N-H⋯O hydrogen bonds into supra-molecular chains propagating along the [101] direction. Hirshfeld surface analysis and two-dimensional fingerprint plots indicate that the most important contributions to the crystal packing are from H⋯H (43.1%), O⋯H/H⋯O (40.9%), C⋯H/H⋯C (8.8%) and C⋯C (5.5%) inter-actions.

2.
Acta Crystallogr E Crystallogr Commun ; 74(Pt 12): 1895-1898, 2018 Dec 01.
Article in English | MEDLINE | ID: mdl-30574396

ABSTRACT

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.

5.
Acta Crystallogr E Crystallogr Commun ; 74(Pt 10): 1513-1516, 2018 Oct 01.
Article in English | MEDLINE | ID: mdl-30319813

ABSTRACT

In the title Schiff base compound, C23H23NO, the two ring systems are twisted by 51.40 (11)° relative to each other. In the crystal, the mol-ecules are connected by weak C-H⋯π inter-actions, generating a three-dimensional supra-molecular structure. Hirshfeld surface analysis and two-dimensional fingerprint plots indicate that the most important contributions to the crystal packing are from H⋯H (67.2%), C⋯H/H⋯C (26.7%) and C⋯C (2.5%) inter-actions.

6.
Acta Crystallogr E Crystallogr Commun ; 74(Pt 10): 1517-1520, 2018 Oct 01.
Article in English | MEDLINE | ID: mdl-30319814

ABSTRACT

The asymmetric unit of the title compound, C8H11N3 2+·2Cl-·H2O, contains three organic cations, six chloride anions and three water mol-ecules of crystallization, which are connected by extensive hydrogen-bonding inter-actions into a three-dimensional supra-molecular architecture. Hirshfeld surface analysis and two-dimensional fingerprint plots indicate that the most important contributions to the crystal packing are from H⋯H (37.4%), Cl⋯H/H⋯Cl (35.5%), C⋯H/H⋯C (9.5%) and C⋯C (6.9%) inter-actions.

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