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Crystal structure and Hirshfeld surface analysis of the product of the ring-opening reaction of a dihydrobenzoxazine: 6,6′-[(cyclohexylazanediyl)bis(methylene)]bis(2,4-dimethylphenol)
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Document Title
Crystal structure and Hirshfeld surface analysis of the product of the ring-opening reaction of a dihydrobenzoxazine: 6,6′-[(cyclohexylazanediyl)bis(methylene)]bis(2,4-dimethylphenol)
Author
Wannapaiboon S.,Hanlumyuang Y.,Chansaenpak K.,Pinyou P.,Veranitisagul C.,Laobuthee A.,Wattanathana W.
Name from Authors Collection
Affiliations
Synchrotron Light Research Institute, 111 University Avenue, Suranaree, Muang, Nakhon Ratchasima, 30000, Thailand; Department of Materials Engineering, Faculty of Engineering, Kasetsart University10900, Thailand; National Nanotechnology Center, National Science and Technology Development Agency, Thailand Science Park, Pathum Thani, 12120, Thailand; School of Chemistry, Institute of Science, Suranaree University of Technology, 111 University Avenue, Suranaree, Muang, Nakhon Ratchasima, 30000, Thailand; Department of Materials and Metallurgical Engineering, Faculty of Engineering, Rajamangala University of Technology Thanyaburi, Pathumthani, 12110, Thailand
Type
Article
Source Title
Acta Crystallographica Section E: Crystallographic Communications
ISSN
20569890
Year
2020
Volume
76
Open Access
All Open Access, Gold, Green
Publisher
International Union of Crystallography
DOI
10.1107/S2056989020009184
Abstract
In the title unsymmetrical tertiary amine, C24H33NO2, which arose from the ring-opening reaction of a dihydrobenzoxazine, two 2,4-dimethylphenol moieties are linked by a 6,6′-(cyclohexylazanediyl)-bis(methylene) bridge: the dihedral angle between the dimethylphenol rings is 72.45 (7)°. The cyclohexyl ring adopts a chair conformation with the exocyclic C-N bond in an equatorial orientation. One of the phenol OH groups forms an intramolecular O-H..N hydrogen bond, generating an S(6) ring, and a short intramolecular C-H..O contact is also present. In the crystal, O-H..O hydrogen bonds link the molecules into C(10) chains propagating along the [100] direction. The Hirshfeld surface analysis of the title compound confirms the presence of these intra-and intermolecular interactions. The corresponding fingerprint plots indicate that the most significant contacts in the crystal packing are H..H (76.4%), H..C/C..H (16.3%), and H..O/O..H (7.2%). © 2020 Acta Crystallographica Section E: Crystallographic Communications. All rights reserved.
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Knowledge Taxonomy Level 1
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License
CC BY
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Publication Source
Scopus