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Crystal structure of 2-{[1-(4-bromo-benz-yl)-1H-1,2,3-triazol-4-yl]meth-oxy}naph-thalene-1,4-dione.

ABSTRACT: In the title compound, C20H14BrN3O3, the benzene ring makes dihedral angles of 71.30 (11) and 68.95 (14)° with the naphthalene ring system and the triazole ring, respectively. The latter two ring systems are coplanar, with a dihedral angle of 2.92 (12)°. The O atoms deviate from the naphthalene ring system by 0.029 (2) and -0.051 (2) Å. In the crystal, mol-ecules are linked by C-H⋯O and C-H⋯N hydrogen bonds, forming ribbons parallel to (10-1). The ribbons are linked via C-H⋯O and π-π stacking inter-actions [centroid-centroid distance = 3.4451 (14) Å], forming slabs parallel to the bc plane.

SUBMITTER: Raja R

PROVIDER: S-EPMC4438838 | biostudies-literature | 2015 Apr

REPOSITORIES: biostudies-literature

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Crystal structure of 2-{[1-(4-bromo-benz-yl)-1H-1,2,3-triazol-4-yl]meth-oxy}naph-thalene-1,4-dione.

Raja Rajamani R Kandhasamy Subramani S Perumal Paramasivam T PT SubbiahPandi A A

Acta crystallographica. Section E, Crystallographic communications 20150311 Pt 4

In the title compound, C20H14BrN3O3, the benzene ring makes dihedral angles of 71.30 (11) and 68.95 (14)° with the naphthalene ring system and the triazole ring, respectively. The latter two ring systems are coplanar, with a dihedral angle of 2.92 (12)°. The O atoms deviate from the naphthalene ring system by 0.029 (2) and -0.051 (2) Å. In the crystal, mol-ecules are linked by C-H⋯O and C-H⋯N hydrogen bonds, forming ribbons parallel to (10-1). The ribbons are linked via C-H⋯O and π-π stacking in ...[more]

PMID: 26029429

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