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Synthesis, crystal structure and Hirshfeld surface analysis of naphthalene-2,3-diyl bis-(3-benz-yl-oxy)benzoate.

ABSTRACT: In the title compound, C₃₈H₂₈O₆, the dihedral angles between the naphthalene ring system and its pendant benz-yloxy rings A and B are 88.05 (7) and 80.84 (7)°, respectively. The dihedral angles between the A and B rings and their attached phenyl rings are 49.15 (8) and 80.78 (8)°, respectively. In the extended structure, the mol-ecules are linked by weak C-H⋯O and C-H⋯π hydrogen bonds, and π-π stacking inter-actions, which variously generate C(11) chains and R ₂ ²(12) loops as part of a three-dimensional network. The Hirshfeld surface [fingerprint contributions = H⋯H (42.3%), C⋯H/H⋯C (40.3%) and O⋯H/H⋯O (15.7%)] and inter-molecular inter-action energies are reported, with dispersion (E _dis = -428.6 kJ mol^-1) being the major contributor.

SUBMITTER: Anil Kumar H

PROVIDER: S-EPMC10439419 | biostudies-literature | 2023 Jul

REPOSITORIES: biostudies-literature

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Synthesis, crystal structure and Hirshfeld surface analysis of naphthalene-2,3-diyl bis-(3-benz-yl-oxy)benzoate.

Anil Kumar H H Selvanandan S S Srinivasa H T HT Venkateshappa G G Palakshamurthy B S BS

Acta crystallographica. Section E, Crystallographic communications 20230704 Pt 8

In the title compound, C38H28O6, the dihedral angles between the naphthalene ring system and its pendant benz-yloxy rings A and B are 88.05 (7) and 80.84 (7)°, respectively. The dihedral angles between the A and B rings and their attached phenyl rings are 49.15 (8) and 80.78 (8)°, respectively. In the extended structure, the mol-ecules are linked by weak C-H⋯O and C-H⋯π hydrogen bonds, and π-π stacking inter-actions, which variously ge ...[more]

PMID: 37601398

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