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Crystal structure of 1,3-bis-(1H-benzotriazol-1-yl-meth-yl)benzene.

ABSTRACT: The mol-ecular structure of the title compound, C20H16N6, contains two benzotriazole units bonded to a benzene nucleus in a meta configuration, forming dihedral angles of 88.74?(11) and 85.83?(10)° with the central aromatic ring and 57.08?(9)° with each other. The three-dimensional structure is controlled mainly by weak C-H?N and C-H?? inter-actions. The mol-ecules are connected in inversion-related pairs, forming the slabs of infinite chains that run along the [-110] and [110] directions.

SUBMITTER: Macias MA 

PROVIDER: S-EPMC4908573 | biostudies-literature | 2016 Jun

REPOSITORIES: biostudies-literature

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Crystal structure of 1,3-bis-(1H-benzotriazol-1-yl-meth-yl)benzene.

Macías Mario A MA   Nuñez-Dallos Nelson N   Hurtado John J   Suescun Leopoldo L  

Acta crystallographica. Section E, Crystallographic communications 20160517 Pt 6

The mol-ecular structure of the title compound, C20H16N6, contains two benzotriazole units bonded to a benzene nucleus in a meta configuration, forming dihedral angles of 88.74 (11) and 85.83 (10)° with the central aromatic ring and 57.08 (9)° with each other. The three-dimensional structure is controlled mainly by weak C-H⋯N and C-H⋯π inter-actions. The mol-ecules are connected in inversion-related pairs, forming the slabs of infinite chains that run along the [-110] and [110] directions. ...[more]

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