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Partial cone conformer of 25,27-bis-[(methoxy-carbonyl)-meth-oxy]-26,28-dipropoxycalix[4]arene.

ABSTRACT: Mol-ecules of the title compound, C(40)H(44)O(8), adopt a partial cone conformation. The dihedral angles between the planes of the aromatic rings and the mean plane through the methyl-ene C atoms bridging the aromatic rings are 35.74 (7), 85.86 (5), 87.77 (4) and 89.95 (5)°. Two opposite aryl rings are approximately parallel to each other; the others are at an inter-planar angle of 52.41 (6)°. Intra- and inter-molecular C-H⋯O hydrogen bonds stabilize the mol-ecular conformation and the crystal packing. Two C atoms of one propoxy chain are disordered over two positions; the site occupancy factors are ca 0.66 and 0.34.

SUBMITTER: Zhang GZ

PROVIDER: S-EPMC2960911 | biostudies-literature | 2008 Mar

REPOSITORIES: biostudies-literature

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Partial cone conformer of 25,27-bis-[(methoxy-carbonyl)-meth-oxy]-26,28-dipropoxycalix[4]arene.

Zhang Guo-Zhi GZ Zhao Mei M Zhang Xiao-Ling XL Ma Jian-Ping JP Guo Dian-Shun DS

Acta crystallographica. Section E, Structure reports online 20080314 Pt 4

Mol-ecules of the title compound, C(40)H(44)O(8), adopt a partial cone conformation. The dihedral angles between the planes of the aromatic rings and the mean plane through the methyl-ene C atoms bridging the aromatic rings are 35.74 (7), 85.86 (5), 87.77 (4) and 89.95 (5)°. Two opposite aryl rings are approximately parallel to each other; the others are at an inter-planar angle of 52.41 (6)°. Intra- and inter-molecular C-H⋯O hydrogen bonds stabilize the mol-ecular conformation and the crystal p ...[more]

PMID: 21202103

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