Crystal structures and Hirshfeld surface analyses of (E)-N'-benzyl-idene-2-oxo-2H-chromene-3-carbo-hydrazide and the disordered hemi-DMSO solvate of (E)-2-oxo-N'-(3,4,5-trimeth-oxybenzyl-idene)-2H-chromene-3-carbohydrazide: lattice energy and inter-molecular inter-action energy calculations for the former.
Acta Crystallogr E Crystallogr Commun
; 75(Pt 10): 1403-1410, 2019 Oct 01.
Article
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| MEDLINE
| ID: mdl-31636966
ABSTRACT
The crystal structures of the disordered hemi-DMSO solvate of (E)-2-oxo-N'-(3,4,5-tri-meth-oxy-benzyl-idene)-2H-chromene-3-carbohydrazide, C20H18N2O6·0.5C2H6OS, and (E)-N'-benzyl-idene-2-oxo-2H-chromene-3-carbohydrazide, C17H12N2O3 (4 R = C6H5), are discussed. The non-hydrogen atoms in compound [4 R = (3,4,5-MeO)3C6H2)] exhibit a distinct curvature, while those in compound, (4 R = C6H5), are essential coplanar. In (4 R = C6H5), C-Hâ¯O and π-π intra-molecular inter-actions combine to form a three-dimensional array. A three-dimensional array is also found for the hemi-DMSO solvate of [4 R = (3,4,5-MeO)3C6H2], in which the mol-ecules of coumarin are linked by C-Hâ¯O and C-Hâ¯π inter-actions, and form tubes into which the DMSO mol-ecules are cocooned. Hirshfeld surface analyses of both compounds are reported, as are the lattice energy and inter-molecular inter-action energy calculations of compound (4 R = C6H5).
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01-internacional
Base de datos:
MEDLINE
Idioma:
En
Revista:
Acta Crystallogr E Crystallogr Commun
Año:
2019
Tipo del documento:
Article
País de afiliación:
Portugal