Crystal structure of 11-[4-(hex­yloxy)phen­yl]-1,2,4-triazolo[4,3-a][1,10]phenanthroline

Acta Crystallographica Section E: Crystallographic Communications

Detert, H.¹  Schollmeyer, D.¹  Preis, J.¹ 

[1] University Mainz, Duesbergweg 10-14, 55099 Mainz, Germany

关键词: CRYSTAL STRUCTURE;    PHENANTHROLINE;    TRIAZOLE;    HELICENE;   

DOI  :  10.1107/S2056989015012025

学科分类：数学（综合）

来源: International Union of Crystallography

【 摘 要 】

The title compound, C25H24N4O, was prepared from 2-chloro­phenanthroline and hexyl­oxyphenyl­tetra­zole. The main difference between the two independent mol­ecules (A and B) in the asymmetric unit is the orientation of the all-anti-configured hex­yloxy chain: in A the C—O—C—C torsion angle is 175.9 (2)° whereas it is −88.3 (3)° in B. The benzene substitution in the bay of the triazolophenanthroline results in a helical distorsion of the heterocyclic core, the dihedral angles between the mean planes formed by quinoline and benzotriazole ring systems are 13.73 (9) for mol­ecule A and 14.87 (8)° for B. The dihedral angles between the triazole ring and the attached benzene ring are 45.87 (15) in A and 53.93 (14)° in B. The angular annulation of four rings and the benzene substituent results in a helical distortion of the aromatic framework. The crystal is formed from layers composed of centrosymmetric pairs of A2, B2 mol­ecules with inter­digitating alkyl chains.

【 授权许可】

CC BY