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Diethyl 7,8,18,19-tetra-methyl-2,13-dioxo-hexa-cyclo-[10.10.2.0.0.0.0]tetra-cosa-5,7,9,16,18,20-hexa-ene-23,24-dicarboxyl-ate.

ABSTRACT: The asymmetric unit of the title compound, C(30)H(34)N(4)O(6), contains two independent mol-ecules. In one independent mol-ecule, the two eth-oxy-carbonyl groups are each disordered over two conformations with occupancy ratios of 0.586 (2):0.414 (2) and 0.508 (2):0.492 (2). The crystal packing exhibits weak inter-molecular C-H⋯O hydrogen bonds.

SUBMITTER: Wang J

PROVIDER: S-EPMC3006902 | biostudies-literature | 2010 Jun

REPOSITORIES: biostudies-literature

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Diethyl 7,8,18,19-tetra-methyl-2,13-dioxo-hexa-cyclo-[10.10.2.0.0.0.0]tetra-cosa-5,7,9,16,18,20-hexa-ene-23,24-dicarboxyl-ate.

Wang Jungang J Xiang Jiacheng J Cao Liping L

Acta crystallographica. Section E, Structure reports online 20100616 Pt 7

The asymmetric unit of the title compound, C(30)H(34)N(4)O(6), contains two independent mol-ecules. In one independent mol-ecule, the two eth-oxy-carbonyl groups are each disordered over two conformations with occupancy ratios of 0.586 (2):0.414 (2) and 0.508 (2):0.492 (2). The crystal packing exhibits weak inter-molecular C-H⋯O hydrogen bonds. ...[more]

PMID: 21587906

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Project description:In the title mol-ecule, C(26)H(22)Br(4)N(4)O(6), the dihedral angle between the aromatic rings is 30.0 (1)°. One ethyl fragment is disordered between two positions in a 1:1 ratio. The crystal packing exhibits weak inter-molecular C-H⋯O hydrogen bonds and short Br⋯O contacts of 3.349 (6) Å.

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Project description:The dinuclear title complex, [Cu(2)(C(46)H(38)N(4)O(2))Cl(2)]·0.5C(2)H(5)OH·2H(2)O, is located on crystallographic inversion centres with two half-mol-ecules in the asymmetric unit. The two Cu(II) atoms are coordinated by a hexa-dentate dianionic ligand formed in situ from the condensation of two tridentate ligands by four imine N atoms and two bridging phenolate O atoms along with two Cl atoms at axial positions. The coordination geometry around the metal atoms is distorted square-pyramidal (τ = 0.185 and 0.199). The non-bonding Cu⋯Cu distances are 2.9556 (12) and 2.9506 (12) Å in the two dimers. The packing is stabilized through solvent-mediated inter-molecular O-H⋯O and O-H⋯Cl hydrogen bonds. The diamine chain of one of the dimers is disordered over two positions in a 0.680 (5):0.320 (5) ratio.

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