CRYSTAL STRUCTURE AND HIRSHFELD SURFACE ANALYSIS OF A ONE-DIMENSIONAL COORDINATION ORGANIC/INORGANIC HYBRID [(MoO3)(biim)]n
Journal Title: Periódico Tchê Química - Year 2018, Vol 15, Issue 30
Abstract
A new one-dimensional organic/inorganic hybrid [(MoO3)(biim)]n has been synthesized by a hydrothermal method in a reactor Parr. Its structure was characterized by FT-IR spectroscopic studies and single-crystal X-ray diffraction. This compound crystallize in the orthorhombic system with space group Cmc21, Z = 4, and unit cell parameters a = 6.9834(4) Å, b = 9.8771(6) Å, c = 13.6740(8) Å, and β = 103.861(1)º, V=1026.64(18) Å3. The molecular structure and crystal packing are stabilized mainly by a strong intermolecular hydrogen bonds with atoms N–H•••O which can be described by graph set symbol R22(9) and its packing arrangement reinforced by π-π stacking. The intercontacts in the crystal structure are analyzed using Hirshfeld surfaces computational method.
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