Research Article: {2-[(9,9-Dihexyl­fluoren-2-yl)carbon­yl]phen­yl}(4-meth­oxy­phen­yl)methanone

Date Published: July 01, 2012

Publisher: International Union of Crystallography

Author(s): P. Narayanan, K. Sethusankar, Meganathan Nandakumar, Arasambattu K. Mohanakrishnan.

http://doi.org/10.1107/S1600536812026773

Abstract

In the title compound, C40H44O3, the fluorene ring system is essentially planar, with a maximum deviation of 0.075 (3) Å, and forms dihedral angles of 70.62 (8) and 70.31 (8)° with the mean planes of the central benzene ring and the meth­oxy­phenyl ring, respectively. Both the hexyl side chains have different conformations, i.e. an anti–gauche–anti–gauche conformation with C—C—C—C torsion angles of −169.3 (2), 74.2 (4), −178.0 (3) and −76.0 (6)° for one hexyl side chain and an anti–anti–anti–gauche conformation with C—C—C—C torsion angles of −177.9 (2), −176.5 (3), 171.7 (4) and 80.4 (9)° for the other. Four C atoms in one and two C atoms in the other hexyl side chains are each disordered over two sets of sites, with occupancy factors of 0.761 (3):0.239 (3) and 0.660 (6):0.340 (6). In the crystal, mol­ecules are via pairs of C—H⋯O hydrogen bonds, forming inversion dimers and resulting in R22(28) graph-set motifs.

Partial Text

For the uses and biological importance of diketones, see: Saragi et al. (2004 ▶); Beulter et al. (2007 ▶). For related structures, see: Narayanan et al. (2011 ▶); Schollmeyer & Detert (2011 ▶). For distorted conformations, see: Judas et al. (1995 ▶). For graph-set notation, see: Bernstein et al. (1995 ▶).

 

Source:

http://doi.org/10.1107/S1600536812026773

 

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