Crystal structure, Hirshfeld surface analysis and energy frameworks of 1-[( E )-2-(2-fluorophenyl)diazan-1-ylidene]naphthalen-2(1 H )-one - Université de Rennes Accéder directement au contenu
Article Dans Une Revue Acta crystallographica Section E : Crystallographic communications [2015-...] Année : 2024

Crystal structure, Hirshfeld surface analysis and energy frameworks of 1-[( E )-2-(2-fluorophenyl)diazan-1-ylidene]naphthalen-2(1 H )-one

Résumé

The title compound, CHNOF, is a member of the azo dye family. The dihedral angle subtended by the benzene ring and the naphthalene ring system measures 18.75 (7)°, indicating that the compound is not perfectly planar. An intra-molecular N-H⋯O hydrogen bond occurs between the imino and carbonyl groups. In the crystal, the mol-ecules are linked into inversion dimers by C-H⋯O inter-actions. Aromatic π-π stacking between the naphthalene ring systems lead to the formation of chains along [001]. A Hirshfeld surface analysis was undertaken to investigate and qu-antify the inter-molecular inter-actions. In addition, energy frameworks were used to examine the cooperative effect of these inter-molecular inter-actions across the crystal, showing dispersion energy to be the most influential factor in the crystal organization of the compound.
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hal-04434595 , version 1 (02-02-2024)

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Hibet Errahmane Meroua Akkache, Noudjoud Hamdouni, Ali Boudjada, Mohamed Larbi Medjroubi, Assia Mili, et al.. Crystal structure, Hirshfeld surface analysis and energy frameworks of 1-[( E )-2-(2-fluorophenyl)diazan-1-ylidene]naphthalen-2(1 H )-one. Acta crystallographica Section E : Crystallographic communications [2015-..], 2024, 80 (2), pp.137-142. ⟨10.1107/S2056989024000227⟩. ⟨hal-04434595⟩
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