| Autor: |
van der Peet, Phillip L., Joyce, Rohan D., Ott, Holger, Marcuccio, Sebastian M., White, Jonathan M., Williams, Spencer J. |
| Předmět: |
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| Zdroj: |
Acta Crystallographica Section E: Crystallographic Communications; Oct2022, Vol. 78 Issue 10, p1056-Sup-5, 10p |
| Abstrakt: |
The structure of the title compound, 2C18H19ClN4O-HCl or (CNO)2-HCl (C36H39Cl3N8O2), at 100 K has tetragonal (I4/m) symmetry. The dihedral angle between the benzene rings of the fused ring system of the CNO molecule is 40.08 (6)° and the equivalent angle between the seven-membered ring and its pendant N-oxide ring is 31.14 (7)°. The structure contains a very strong, symmetrical O--H--O hydrogen bond [O--O = 2.434 (2) JA] between two equivalent R3N+ -- O_ moieties, which share a proton lying on a crystallographic twofold rotation axis. These units then form a (CNO)4-(HCl)2 ring by way of two equivalent N--H--Cl hydrogen bonds (Cl_ site symmetry m). These rings are catenated into infinite chains propagating along the c-axis direction by way of shape complementarity and directional C--H--N and C--H--tt interactions. [ABSTRACT FROM AUTHOR] |
| Databáze: |
Complementary Index |
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