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Hexane-1,6-diaminium bis-[3,4,5,6-tetra-chloro-2-(meth-oxy-carbon-yl)benzoate].

ABSTRACT: In the anion of the title salt, C(6)H(18)N(2) (2+)·2C(9)H(3)Cl(4)O(4) (-), the meth-oxy-carbonyl and carboxyl groups are aligned at dihedral angles of 71.0?(3) and 100.9?(3)°, respectively, with the aromatic ring. The asymmetric unit contains half a cation and one anion. In the crystal, inter-molecular N-H?O, C-H?Cl and C-H?O hydrogen bonds link the components into a three-dimensional network.

SUBMITTER: Li J

PROVIDER: S-EPMC3099857 | biostudies-other | 2011 Apr

REPOSITORIES: biostudies-other

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Hexane-1,6-diaminium bis-[3,4,5,6-tetra-chloro-2-(meth-oxy-carbon-yl)benzoate].

Li Jian J

Acta crystallographica. Section E, Structure reports online 20110315 Pt 4

In the anion of the title salt, C(6)H(18)N(2) (2+)·2C(9)H(3)Cl(4)O(4) (-), the meth-oxy-carbonyl and carboxyl groups are aligned at dihedral angles of 71.0 (3) and 100.9 (3)°, respectively, with the aromatic ring. The asymmetric unit contains half a cation and one anion. In the crystal, inter-molecular N-H⋯O, C-H⋯Cl and C-H⋯O hydrogen bonds link the components into a three-dimensional network. ...[more]

PMID: 21754175

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Project description:In the title compound, C(2)H(10)N(2) (2+)·2C(9)H(3)Br(4)O(4) (-)·CH(4)O, the N atoms of the ethane-1,2-diamine mol-ecule are protonated. The crystal structure is stabilized by N-H?O hydrogen bonds between the ethane-1,2-diaminium cations and 3,4,5,6-tetra-bromo-2-(methoxy-carbon-yl)bromo-benzoate anions, and by O-H?O and N-H?O hydrogen bonds between the methanol solvate and both the cation and the anion. In addition, the crystal structure exhibits a C-Br?O halogen bond [3.20?(3)?Å] and a Br?Br inter-action [3.560?(2)?Å].

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