Crystal structures of a series of 3,8-di[-2-aryl-1-azenyl]-1,3,6,8-tetraazabicyclo[4.4.1]undecanes |
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Authors: | Kumar Biradha M Brad Peori Keith Vaughan Michael J Zaworotko |
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Institution: | (1) Department of Chemistry, Saint Mary's University, Halifax, Nova Scotia, Canada, B3H 2J5;(2) University of Winnipeg, Winnipeg, Manitoba, Canada |
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Abstract: | The crystal and molecular structure of a series of 3,8-di-2-aryl-1-azenyl]-1,3,6,8-tetraazabicyclo4.4.1]undecanes (1–5) have been determined by single crystal X-ray diffraction analysis. In all five compounds, the tetraazabicycloundecane portion of the molecule assumes a cage-like, folded structure with the aryltriazene moieties aligned approximately parallel; the structure is held in the folded configuration by either intramolecular or intermolecular – stacking forces. Crystal data: 1 C19H22N10O4, monoclinic space group P21/c, a = 10.1846(7), b = 9.9556(7), c = 20.819(2) Å, = 98.725(1)°, V = 2086.5 (3) Å3, Z = 4; 2 C23H28N8O4, triclinic, space group P, a = 6.7064(7), b = 12.9662(14), c = 14.054(2) Å, = 94.796(2), = 91.621(2), = 104.836(2)°, V = 1175.7(2) Å3, Z = 2; 3 C19H22N10O4, monoclinic, space group P21/c, a = 14.237(2), b = 13.520(2), c = 11.5805(12) Å, = 113.514(2)°, V = 2044.0(4) Å3, Z = 4; 4 C21H22N10, monoclinic, space group C2/c, a = 54.247(3), b = 11.5531(7), c = 12.9670(7) Å, = 95.710(1)°, V = 8086.4(8) Å3, Z = 16; 5 C25H32N8 04, monoclinic, space group P21/c, a = 10.2908(7), b = 16.5687(12), c = 15.1662(10) Å, = 94,188(1)°, V = 2579.0(3) Å3, Z = 4. |
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Keywords: | Crystal structure bicycloundecane triazene bis-triazene nitro substituent carboalkoxy substituent –" target="_blank">gif" alt="pgr" align="BASELINE" BORDER="0">– stacking" target="_blank">gif" alt="pgr" align="BASELINE" BORDER="0"> stacking |
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