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

ABSTRACT: In the title salt, C(4)H(14)N(2) (+)·2C(9)H(3)Cl(4)O(4) (-), the cation lies on an inversion center. In the anion, the mean planes of meth-oxy-carbonyl and carboxyl-ate groups form dihedral angles of 64.9?(3) and 58.5?(3)°, respectively, with the benzene ring. In the crystal, inter-molecular N-H?O hydrogen bonds connect the components into sheets parallel to (100).

SUBMITTER: Liang ZP

PROVIDER: S-EPMC3120406 | biostudies-other | 2011 Jun

REPOSITORIES: biostudies-other

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

Liang Zu Pei ZP

Acta crystallographica. Section E, Structure reports online 20110507 Pt 6

In the title salt, C(4)H(14)N(2) (+)·2C(9)H(3)Cl(4)O(4) (-), the cation lies on an inversion center. In the anion, the mean planes of meth-oxy-carbonyl and carboxyl-ate groups form dihedral angles of 64.9 (3) and 58.5 (3)°, respectively, with the benzene ring. In the crystal, inter-molecular N-H⋯O hydrogen bonds connect the components into sheets parallel to (100). ...[more]

PMID: 21754751

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Butane-1,4-diaminium 2-(meth-oxy-carbon-yl)benzoate dihydrate.

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Project description:In the anion of the title compound, C(7)H(10)N(+)·C(9)H(3)Br(4)O(4) (-)·CH(3)O, the dihedral angles formed by the benzene ring and the mean planes of the carboxyl-ate and meth-oxy-carbonyl groups are 74.8 (5) and 75.0 (5)°, respectively. In the crystal, inter-molecular N-H⋯O and O-H⋯O hydrogen bonds link the components into chains along [100]. Additional stabilization is provided by weak inter-molecular C-H⋯O hydrogen bonds.

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Project description:In the three-dimensional tetra-chloro-phthalate-bridged title complex [Er(C(8)Cl(4)O(4))(H(2)O)(7)](C(8)HCl(4)O(4))·C(8)H(2)Cl(4)O(4)·H(2)O, the Er(III) ion is coordinated in form of a distorted square antiprism by an O atom of a tetra-chloro-phthalate ligand and by seven water O atoms. Extensive hydrogen bonds establish a layered network structure extending parallel to (001).

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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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