Supramolecular self-assembly of a coumarine-based acylthiourea synthon directed by π-stacking interactions: Crystal structure and Hirshfeld surface analysis
Abstract The structure of 1-(2-oxo-2H-chromene-3-carbonyl)-3-(2-methoxy-phenyl) thiourea
(1) has been determined by single-crystal X-ray crystallography. This compound crystallizes
in the monoclinic space group P2 1/c with a= 7.455 (2) Å, b= 12.744 (3) Å, c= 16.892 (4) Å,
β= 90.203 (6)° and Z= 4. Both, the coumarin and the phenyl rings are nearly coplanar with
the central 1-acylthiourea group, with the C double bondO and Cdouble bond S bonds
adopting an opposite orientation. Intramolecular N–H··· O, C–H··· O, and C–H··· S hydrogen …
(1) has been determined by single-crystal X-ray crystallography. This compound crystallizes
in the monoclinic space group P2 1/c with a= 7.455 (2) Å, b= 12.744 (3) Å, c= 16.892 (4) Å,
β= 90.203 (6)° and Z= 4. Both, the coumarin and the phenyl rings are nearly coplanar with
the central 1-acylthiourea group, with the C double bondO and Cdouble bond S bonds
adopting an opposite orientation. Intramolecular N–H··· O, C–H··· O, and C–H··· S hydrogen …
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