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Tert-Butyl-aminium 2-carb-oxy-4,5-dichloro-benzoate.


ABSTRACT: In the structure of the title anhydrous salt, C(4)H(12)N(+)·C(8)H(3)Cl(2)O(4) (-), the 4,5-dichloro-phthalate monoanions have the common 'planar' conformation with the carboxyl groups close to coplanar with the benzene ring and with a short intra-molecular carb-oxy-lic acid O-H?O hydrogen bond. In the crystal, a two-dimensional sheet structure is formed through aminium N-H?O(carbox-yl) hydrogen-bonding associations.

SUBMITTER: Smith G 

PROVIDER: S-EPMC3200858 | biostudies-other | 2011 Sep

REPOSITORIES: biostudies-other

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tert-Butyl-aminium 2-carb-oxy-4,5-dichloro-benzoate.

Smith Graham G   Wermuth Urs D UD  

Acta crystallographica. Section E, Structure reports online 20110827 Pt 9


In the structure of the title anhydrous salt, C(4)H(12)N(+)·C(8)H(3)Cl(2)O(4) (-), the 4,5-dichloro-phthalate monoanions have the common 'planar' conformation with the carboxyl groups close to coplanar with the benzene ring and with a short intra-molecular carb-oxy-lic acid O-H⋯O hydrogen bond. In the crystal, a two-dimensional sheet structure is formed through aminium N-H⋯O(carbox-yl) hydrogen-bonding associations. ...[more]

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