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. |
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| 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] |
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| Database: | Engineering Source |
| 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] |
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| ISSN: | 20569890 |
| DOI: | 10.1107/S2056989026001234 |
