In the title unsymmetrical tertiary amine, C(24)H(33)NO(2), which arose from the ring-opening reaction of a di-hydro-benzoxazine, two 2,4-di-methyl-phenol moieties are linked by a 6,6'-(cyclo-hexyl-aza-nedi-yl)-bis-(methyl-ene) bridge: the dihedral angle between the dimethyl-phenol rings is 72.45â (7)°. The cyclo-hexyl ring adopts a chair conformation with the exocyclic C-N bond in an equatorial orientation. One of the phenol OH groups forms an intra-molecular O-Hâ¯N hydrogen bond, generating an S(6) ring, and a short intra-molecular C-Hâ¯O contact is also present. In the crystal, O-Hâ¯O hydrogen bonds link the mol-ecules into C(10) chains propagating along the [100] direction. The Hirshfeld surface analysis of the title compound confirms the presence of these intra- and inter-molecular inter-actions. The corresponding fingerprint plots indicate that the most significant contacts in the crystal packing are Hâ¯H (76.4%), Hâ¯C/Câ¯H (16.3%), and Hâ¯O/Oâ¯H (7.2%).
Crystal structure and Hirshfeld surface analysis of the product of the ring-opening reaction of a di-hydro-benzoxazine: 6,6'-[(cyclo-hexyl-aza-nedi-yl)bis-(methyl-ene)]bis-(2,4-di-methyl-phenol).
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作者:Wannapaiboon Suttipong, Hanlumyuang Yuranan, Chansaenpak Kantapat, Pinyou Piyanut, Veranitisagul Chatchai, Laobuthee Apirat, Wattanathana Worawat
| 期刊: | Acta Crystallographica Section E: Crystallographic Communications | 影响因子: | 0.500 |
| 时间: | 2020 | 起止号: | 2020 Jul 10; 76(Pt 8):1239-1244 |
| doi: | 10.1107/S2056989020009184 | ||
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