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1,3,5-Tri-p-tolyl-pentane-1,5-diol.

ABSTRACT: In the title compound, C26H30O2, the central benzene ring forms dihedral angles of 14.85?(15) and 28.17?(14)° with the terminal benzene rings. The dihedral angle between the terminal benzene rings is 32.14?(13)°. The crystal packing exhibits two strong inter-molecular O-H?O hydrogen bonds, forming directed four-membered co-operative rings. A region of disordered electron density, most probably disordered ethyl acetate solvent mol-ecules, occupying voids of ca 519?Å(3) for an electron count of 59, was treated using the SQUEEZE routine in PLATON [Spek (2009 ?). Acta Cryst. D65, 148-155]. Their formula mass and unit-cell characteristics were not taken into account during refinement. The structure was refined as an inversion twin [absolute structure parameter = -0.3?(4)].

SUBMITTER: Thiruvalluvar A 

PROVIDER: S-EPMC3998290 | biostudies-literature | 2014 Feb

REPOSITORIES: biostudies-literature

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1,3,5-Tri-p-tolyl-pentane-1,5-diol.

Thiruvalluvar A A   Chithiravel R R   Muthusubramanian S S   Butcher R J RJ  

Acta crystallographica. Section E, Structure reports online 20140111 Pt 2

In the title compound, C26H30O2, the central benzene ring forms dihedral angles of 14.85 (15) and 28.17 (14)° with the terminal benzene rings. The dihedral angle between the terminal benzene rings is 32.14 (13)°. The crystal packing exhibits two strong inter-molecular O-H⋯O hydrogen bonds, forming directed four-membered co-operative rings. A region of disordered electron density, most probably disordered ethyl acetate solvent mol-ecules, occupying voids of ca 519 Å(3) for an electron count of 59  ...[more]

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