Abstract
In the title coordination polymer, {[Zn(SO4)(C18H16N6O2)(H2O)3]·CH3OH·H2O}n, the Zn2+ ion adopts a slightly distorted cis-ZnN2O4 octahedral geometry arising from three coordinated water molecules, one sulfate ion and two bridging 3,3′-bis(3-pyridyl)-1,1′-(m-phenylene)diurea (bpmpbu) ligands. The dihedral angles between the central benzene ring and two terminal pyridine rings of the bpmbpu molecule are 10.58 (17) and 34.63 (16)°. In the crystal, the ligands bridge the ZnII ions, thus generating a one-dimensional zigzag coordination polymer propagating in [010]. The crystal structure features extensive N—H⋯O and O—H⋯O hydrogen-bonding interactions.
Highlights
H atoms treated by a mixture of independent and constrained refinement max = 0.54 e Å3
In the title coordination polymer, {[Zn(SO4)(C18H16N6O2)(H2O)3]CH3OHH2O}n, the Zn2+ ion adopts a slightly distorted cis-ZnN2O4 octahedral geometry arising from three coordinated water molecules, one sulfate ion and two bridging 3,30 -bis(3-pyridyl)-1,10 -(m-phenylene)diurea ligands
The data were collected at the DSTfunded National Single Crystal Diffractometer Facility at the Department of Inorganic Chemistry, IACS. doi:10.1107/S1600536810009268
Summary
H atoms treated by a mixture of independent and constrained refinement max = 0.54 e Å3. R factor = 0.031; wR factor = 0.068; data-to-parameter ratio = 10.8. In the title coordination polymer, {[Zn(SO4)(C18H16N6O2)(H2O)3]CH3OHH2O}n, the Zn2+ ion adopts a slightly distorted cis-ZnN2O4 octahedral geometry arising from three coordinated water molecules, one sulfate ion and two bridging 3,30 -bis(3-pyridyl)-1,10 -(m-phenylene)diurea (bpmpbu) ligands. The dihedral angles between the central benzene ring and two terminal pyridine rings of the bpmbpu molecule are. ZnII ions, generating a one-dimensional zigzag coordination polymer propagating in [010]. The crystal structure features extensive N—H O and O—H O hydrogenbonding interactions
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