Literature DB >> 16823213

Cadaverinium dichloride: a case of centro-non-centrosymmetric ambiguity.

Izabela Pospieszna-Markiewicz1, Wanda Radecka-Paryzek, Maciej Kubicki.   

Abstract

In the title salt, also known as pentane-1,5-diammonium dichloride, C(5)H(16)N(2)(2+)x2Cl(-), the cation exists in an ideal fully extended conformation and lies on a mirror plane in the space group Pbam. In the crystal structure, layers of cations are hydrogen bonded with Cl(-) anions, which occupy the space between the layers. This kind of packing leads to a short unit-cell parameter of 4.463 (1) Angstrom. This structure is another case of centro-non-centrosymmetric ambiguity; the best results were obtained in a centrosymmetric space group, with the disordered NH(3) groups accounting for the non-centrosymmetric 'component'.

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Year:  2006        PMID: 16823213     DOI: 10.1107/S0108270106018397

Source DB:  PubMed          Journal:  Acta Crystallogr C        ISSN: 0108-2701            Impact factor:   1.172


  2 in total

1.  On the correction of calculated vibrational frequencies for the effects of the counterions - α,ω-diamine dihydrochlorides.

Authors:  S M Fiuza; T M Silva; M P M Marques; L A E Batista de Carvalho; A M Amado
Journal:  J Mol Model       Date:  2015-09-19       Impact factor: 1.810

2.  Disordered structure of propane-1,2-diaminium dichloride.

Authors:  Izabela Pospieszna-Markiewicz; Ewa Zielaskiewicz; Wanda Radecka-Paryzek; Maciej Kubicki
Journal:  Acta Crystallogr Sect E Struct Rep Online       Date:  2011-01-12
  2 in total

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