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5-Bromo-17-nitro-26,28-prop-2-en-oxy-25,27-dipropoxycalix[4]arene.

ABSTRACT: Mol-ecules of the title compound, C(40)H(42)BrNO(6), are located on a crystallographic twofold rotation axis. As a result, the nitro group and bromine residue are mutually disordered with equal occupancies. The prop-oxy-substituted aromatic rings are close to parallel to each other [dihedral angle = 21.24?(1)°], whereas the propen-oxy-substituted rings enclose a dihedral angle of 70.44?(1)°. The dihedral angles between the methyl-ene C atoms and the aromatic rings shows that the propen-oxy substituted rings are bent away from the calixarene cavity [dihedral angle between the planes = 35.22?(8)°], whereas the prop-oxy-substituted rings are almost perpendicular [79.38?(10)°] to the plane of the methyl-ene C atoms.

SUBMITTER: Hippius C

PROVIDER: S-EPMC2968623 | biostudies-literature | 2009

REPOSITORIES: biostudies-literature

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5-Bromo-17-nitro-26,28-prop-2-en-oxy-25,27-dipropoxycalix[4]arene.

Hippius Catharina C Würthner Frank F Bolte Michael M

Acta crystallographica. Section E, Structure reports online 20090228 Pt 3

Mol-ecules of the title compound, C(40)H(42)BrNO(6), are located on a crystallographic twofold rotation axis. As a result, the nitro group and bromine residue are mutually disordered with equal occupancies. The prop-oxy-substituted aromatic rings are close to parallel to each other [dihedral angle = 21.24 (1)°], whereas the propen-oxy-substituted rings enclose a dihedral angle of 70.44 (1)°. The dihedral angles between the methyl-ene C atoms and the aromatic rings shows that the propen-oxy subst ...[more]

PMID: 21582269

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