Startseite The role of hydrogen bonds in order-disorder transition of a new incommensurate low temperature phase β-[Zn-(C7H4NO4)2]·3H2O
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The role of hydrogen bonds in order-disorder transition of a new incommensurate low temperature phase β-[Zn-(C7H4NO4)2]·3H2O

  • Masoumeh Tabatabaee EMAIL logo , Morgane Poupon , Václav Eigner , Přemysl Vaněk und Michal Dušek
Veröffentlicht/Copyright: 8. Dezember 2017
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Zeitschrift für Kristallographie - Crystalline Materials
Aus der Zeitschrift Zeitschrift für Kristallographie - Crystalline Materials Band 233 Heft 1

Abstract

The room temperature structure with P21/c symmetry of the zinc(II) complex of pyridine-2,6-dicarboxylic acid was published by Okabe and Oya (N. Okabe, N. Oya, Copper(II) and zinc(II) complexes of pyridine-2,6-dicarboxylic acid. Acta Crystallogr. C. 2000, 56, 305). Here we report crystal structure of the low temperature phase β-[Zn(pydcH)2]·3H2O, pydc=C7H3NO4, resulting from the phase transition around 200K. The diffraction pattern of the low temperature phase revealed satellite reflections, which could be indexed with q-vector 0.4051(10)b* corresponding to (3+1)D incommensurately modulated structure. The modulated structure was solved in the superspace group X21/c(0b0)s0, where X stands for a non-standard centring vector (½, 0, 0, ½), and compared with the room temperature phase. It is shown that hydrogen bonds are the main driving force of modulation.

Keywords: aperiodic structure; hydrogen bonds; incommensurate modulation; phase transition; zinc

Acknowledgements

This research was supported by Yazd Branch, Islamic Azad University- project 51053910927005 and the crystallographic part was supported by the project 15-12653S of the Czech Science Foundation using instruments of the ASTRA lab established within the Operation program Prague Competitiveness - project CZ.2.16/3.1.00/24510.

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Supplemental Material:

The online version of this article offers supplementary material (https://doi.org/10.1515/zkri-2016-2013).

Received: 2016-10-15
Accepted: 2017-5-8
Published Online: 2017-12-8
Published in Print: 2018-1-26

©2018 Walter de Gruyter GmbH, Berlin/Boston

Artikel in diesem Heft

  1. Frontmatter
  2. Graphical Synopsis
  3. Inorganic Crystal Structures
  4. Microporous uranyl chromates successively formed by evaporation from acidic solution
  5. Crystal packing and crystallization tendency from the melt of 2-((2-ethylphenyl)amino)nicotinic acid
  6. Organic and Metalorganic Crystal Structures
  7. The role of hydrogen bonds in order-disorder transition of a new incommensurate low temperature phase β-[Zn-(C7H4NO4)2]·3H2O
  8. Structural investigation and Hirshfeld surface analysis of three organic picrate salts
  9. Crystal structure and thermal behavior of isostructural binary complexes [Rh(en)3][Fe(CN)6] and [Rh(en)3][Cо(CN)6]
  10. Towards clathrates. 2. The frozen states of hydration of tert-butanol
  11. Anion-directed assembly of lanthanide coordination polymers with SMMs properties based on a dihydrazone ligand
  12. Crystallographic Computing
  13. DIANNA (diffraction analysis of nanopowders) – a software for structural analysis of nanosized powders
  14. A new cubic Ia3̅d crystal structure observed in a model single component system by molecular dynamics simulation
https://doi.org/10.1515/zkri-2016-2013
Schlagwörter für diesen Artikel
aperiodic structure; hydrogen bonds; incommensurate modulation; phase transition; zinc

Artikel in diesem Heft

  1. Frontmatter
  2. Graphical Synopsis
  3. Inorganic Crystal Structures
  4. Microporous uranyl chromates successively formed by evaporation from acidic solution
  5. Crystal packing and crystallization tendency from the melt of 2-((2-ethylphenyl)amino)nicotinic acid
  6. Organic and Metalorganic Crystal Structures
  7. The role of hydrogen bonds in order-disorder transition of a new incommensurate low temperature phase β-[Zn-(C7H4NO4)2]·3H2O
  8. Structural investigation and Hirshfeld surface analysis of three organic picrate salts
  9. Crystal structure and thermal behavior of isostructural binary complexes [Rh(en)3][Fe(CN)6] and [Rh(en)3][Cо(CN)6]
  10. Towards clathrates. 2. The frozen states of hydration of tert-butanol
  11. Anion-directed assembly of lanthanide coordination polymers with SMMs properties based on a dihydrazone ligand
  12. Crystallographic Computing
  13. DIANNA (diffraction analysis of nanopowders) – a software for structural analysis of nanosized powders
  14. A new cubic Ia3̅d crystal structure observed in a model single component system by molecular dynamics simulation
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