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(S,S)-N,N'-Bis(1-carb-oxy-2-methyl-prop-yl)ethyl-enediammonium dihalide cyclo-penta-nol tetra-solvate (halide = bromide/chloride ? 1:12).

ABSTRACT: In the crystal structure of the title compound, C(12)H(26)N(2)O(4) (2+)·2(Br(0.085)Cl(0.915))(-)·4C(5)H(9)OH, the complete cation is generated by crystallographic twofold symmetry. Contamination of the chloride counter-anion with bromide occured during the preparation, due to the use of 1,2-dibromo-ethane. One of the solvent mol-ecules is disordered, with occupancies 0.53?(3):0.47?(3). The crystal packing is stabilized by an infinite two dimensional ?X?H-N-H?X? hydrogen-bonding network (X: Br(-)/Cl(-) ? 1:12). In addition, O-H?X and O-H?O hydrogen bonds involving solvent mol-ecules are observed.

SUBMITTER: Zmejkovski BB

PROVIDER: S-EPMC2968532 | biostudies-literature | 2009 Feb

REPOSITORIES: biostudies-literature

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(S,S)-N,N'-Bis(1-carb-oxy-2-methyl-prop-yl)ethyl-enediammonium dihalide cyclo-penta-nol tetra-solvate (halide = bromide/chloride ≃ 1:12).

Zmejkovski Bojana B BB Kaluderović Goran N GN Gómez-Ruiz Santiago S Sabo Tibor J TJ

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

In the crystal structure of the title compound, C(12)H(26)N(2)O(4) (2+)·2(Br(0.085)Cl(0.915))(-)·4C(5)H(9)OH, the complete cation is generated by crystallographic twofold symmetry. Contamination of the chloride counter-anion with bromide occured during the preparation, due to the use of 1,2-dibromo-ethane. One of the solvent mol-ecules is disordered, with occupancies 0.53 (3):0.47 (3). The crystal packing is stabilized by an infinite two dimensional ⋯X⋯H-N-H⋯X⋯ hydrogen-bonding network (X: Br(-) ...[more]

PMID: 21582304

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