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Crystal structures of an azobenzene-bridged aza-18-crown-6 cryptand and a sodium complex thereof.

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Title: Crystal structures of an azobenzene-bridged aza-18-crown-6 cryptand and a sodium complex thereof.
Authors: Schwab, Christoph1 elisabeth.kreidt@tu-dortmund.de, Kreidt, Elisabeth1
Source: Acta Crystallographica Section E: Crystallographic Communications. Mar2026, Vol. 82 Issue 3, p271-277. 35p.
Subjects: Crystal structure, Cryptands, X-ray diffraction, Intermolecular forces, Sodium compounds, Azobenzene, Intermolecular interactions, Molecular conformation
Abstract: We report the single-crystal X-ray diffraction structures of the azobenzenebridged aza-18-crown-6 cryptand 7,16-[3,30 -(diazene-1,2-diyl)bis(1,3-phenylenecarbonyl)]- 1,4,10,13-tetraoxa-7,16-diazacyclooctadecane, C26H32N4O6, 1, and its sodium complex poly[[{µ-7,16-[3,30-(diazene-1,2-diyl)bis(1,3-phenylenecarbonyl)]- 1,4,10,13-tetraoxa-7,16-diazacyclooctadecane}bis{tetrakis[3,5-bis- (trifluoromethyl)phenyl]borato}disodium] benzene disolvate], {[Na2- (C32H12F24B)2(C26H32N4O6)]·2C6H6}π. The free ligand 1 crystallizes in space group P21/n and adopts an elongated strain-distorted crown conformation with a slightly twisted azobenzene unit. In contrast, 2 [obtained with sodium tetrakis- 3,5-bis(trifluoromethyl)phenyl borate (NaBArF)] crystallizes in space group Pl and features multiple Na+ centers that assemble into a three-dimensional network in the solid state. Hirshfeld surface analysis was used to provide a complementary, quantitative description of the dominant intermolecular contacts governing the crystal packing. [ABSTRACT FROM AUTHOR]
Copyright of Acta Crystallographica Section E: Crystallographic Communications is the property of International Union of Crystallography - IUCr and its content may not be copied or emailed to multiple sites without the copyright holder's express written permission. Additionally, content may not be used with any artificial intelligence tools or machine learning technologies. However, users may print, download, or email articles for individual use. This abstract may be abridged. No warranty is given about the accuracy of the copy. Users should refer to the original published version of the material for the full abstract. (Copyright applies to all Abstracts.)
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An: 192139072
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  Data: Crystal structures of an azobenzene-bridged aza-18-crown-6 cryptand and a sodium complex thereof.
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  Data: <searchLink fieldCode="AR" term="%22Schwab%2C+Christoph%22">Schwab, Christoph</searchLink><relatesTo>1</relatesTo><i> elisabeth.kreidt@tu-dortmund.de</i><br /><searchLink fieldCode="AR" term="%22Kreidt%2C+Elisabeth%22">Kreidt, Elisabeth</searchLink><relatesTo>1</relatesTo>
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  Data: <searchLink fieldCode="JN" term="%22Acta+Crystallographica+Section+E%3A+Crystallographic+Communications%22">Acta Crystallographica Section E: Crystallographic Communications</searchLink>. Mar2026, Vol. 82 Issue 3, p271-277. 35p.
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  Data: <searchLink fieldCode="DE" term="%22Crystal+structure%22">Crystal structure</searchLink><br /><searchLink fieldCode="DE" term="%22Cryptands%22">Cryptands</searchLink><br /><searchLink fieldCode="DE" term="%22X-ray+diffraction%22">X-ray diffraction</searchLink><br /><searchLink fieldCode="DE" term="%22Intermolecular+forces%22">Intermolecular forces</searchLink><br /><searchLink fieldCode="DE" term="%22Sodium+compounds%22">Sodium compounds</searchLink><br /><searchLink fieldCode="DE" term="%22Azobenzene%22">Azobenzene</searchLink><br /><searchLink fieldCode="DE" term="%22Intermolecular+interactions%22">Intermolecular interactions</searchLink><br /><searchLink fieldCode="DE" term="%22Molecular+conformation%22">Molecular conformation</searchLink>
– Name: Abstract
  Label: Abstract
  Group: Ab
  Data: We report the single-crystal X-ray diffraction structures of the azobenzenebridged aza-18-crown-6 cryptand 7,16-[3,30 -(diazene-1,2-diyl)bis(1,3-phenylenecarbonyl)]- 1,4,10,13-tetraoxa-7,16-diazacyclooctadecane, C26H32N4O6, 1, and its sodium complex poly[[{µ-7,16-[3,30-(diazene-1,2-diyl)bis(1,3-phenylenecarbonyl)]- 1,4,10,13-tetraoxa-7,16-diazacyclooctadecane}bis{tetrakis[3,5-bis- (trifluoromethyl)phenyl]borato}disodium] benzene disolvate], {[Na2- (C32H12F24B)2(C26H32N4O6)]·2C6H6}π. The free ligand 1 crystallizes in space group P21/n and adopts an elongated strain-distorted crown conformation with a slightly twisted azobenzene unit. In contrast, 2 [obtained with sodium tetrakis- 3,5-bis(trifluoromethyl)phenyl borate (NaBArF)] crystallizes in space group Pl and features multiple Na+ centers that assemble into a three-dimensional network in the solid state. Hirshfeld surface analysis was used to provide a complementary, quantitative description of the dominant intermolecular contacts governing the crystal packing. [ABSTRACT FROM AUTHOR]
– Name: AbstractSuppliedCopyright
  Label:
  Group: Ab
  Data: <i>Copyright of Acta Crystallographica Section E: Crystallographic Communications is the property of International Union of Crystallography - IUCr and its content may not be copied or emailed to multiple sites without the copyright holder's express written permission. Additionally, content may not be used with any artificial intelligence tools or machine learning technologies. However, users may print, download, or email articles for individual use. This abstract may be abridged. No warranty is given about the accuracy of the copy. Users should refer to the original published version of the material for the full abstract.</i> (Copyright applies to all Abstracts.)
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        Value: 10.1107/S2056989026001234
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      – Code: eng
        Text: English
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        PageCount: 35
        StartPage: 271
    Subjects:
      – SubjectFull: Crystal structure
        Type: general
      – SubjectFull: Cryptands
        Type: general
      – SubjectFull: X-ray diffraction
        Type: general
      – SubjectFull: Intermolecular forces
        Type: general
      – SubjectFull: Sodium compounds
        Type: general
      – SubjectFull: Azobenzene
        Type: general
      – SubjectFull: Intermolecular interactions
        Type: general
      – SubjectFull: Molecular conformation
        Type: general
    Titles:
      – TitleFull: Crystal structures of an azobenzene-bridged aza-18-crown-6 cryptand and a sodium complex thereof.
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            NameFull: Schwab, Christoph
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            – D: 01
              M: 03
              Text: Mar2026
              Type: published
              Y: 2026
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