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-Hâ¯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 Hâ¯H (43.1%), Oâ¯H/Hâ¯O (40.9%), Câ¯H/Hâ¯C (8.8%) and Câ¯C (5.5%) inter-actions.
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 Cuâ¯Cu contacts of 2.4450â (7)â Å.
ABSTRACT
[This corrects the article DOI: 10.1107/S2056989018013117.].
ABSTRACT
[This corrects the article DOI: 10.1107/S205698901801335X.].
ABSTRACT
In the title Schiff base compound, C23H23NO, the two ring systems are twisted by 51.40â (11)° relative to each other. In the crystal, the mol-ecules are connected by weak C-Hâ¯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 Hâ¯H (67.2%), Câ¯H/Hâ¯C (26.7%) and Câ¯C (2.5%) inter-actions.
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 Hâ¯H (37.4%), Clâ¯H/Hâ¯Cl (35.5%), Câ¯H/Hâ¯C (9.5%) and Câ¯C (6.9%) inter-actions.