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Crystal structure and Hirshfeld surface analysis and energy frameworks of 1-(2,4-di-methyl-phen-yl)-4-(4-meth-oxy-phen-yl)naphthalene.

ABSTRACT: In the title compound, C₂₅H₂₂O, the two rings of the naphthalene system are inclined to each other by 3.06?(15)°. The mean plane of the naphthalene ring system makes a dihedral angle of 65.24?(12)° with the di-methyl-phenyl ring and 55.82?(12)° with the meth-oxy-phenyl ring. The di-methyl-phenyl ring is inclined to the meth-oxy-phenyl ring by 59.28?(14)°. In the crystal, adjacent mol-ecules are linked via C-H?? inter-actions, forming chains along [100]. Using Hirshfeld surface and two-dimensional fingerprint plots, the presence of short inter-molecular inter-actions in the crystal structure were analysed. The inter-molecular inter-action energies were also calculated and their distribution over the crystal structure was visualized graphically using energy frameworks.

SUBMITTER: Mohamooda Sumaya U

PROVIDER: S-EPMC6038635 | biostudies-literature | 2018 Jul

REPOSITORIES: biostudies-literature

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Crystal structure and Hirshfeld surface analysis and energy frameworks of 1-(2,4-di-methyl-phen-yl)-4-(4-meth-oxy-phen-yl)naphthalene.

Mohamooda Sumaya U U KarunaKaran J J Biruntha K K MohanaKrishnan A K AK Usha G G

Acta crystallographica. Section E, Crystallographic communications 20180608 Pt 7

In the title compound, C25H22O, the two rings of the naphthalene system are inclined to each other by 3.06 (15)°. The mean plane of the naphthalene ring system makes a dihedral angle of 65.24 (12)° with the di-methyl-phenyl ring and 55.82 (12)° with the meth-oxy-phenyl ring. The di-methyl-phenyl ring is inclined to the meth-oxy-phenyl ring by 59.28 (14)°. In the crystal, adjacent mol-ecules are linked via C-H⋯π inter-actions, forming chains along [100]. Using Hirshfe ...[more]

PMID: 30002890

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