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Sony, S. M. Malathy; Kuppayee, M.; Ponnuswamy, M. N.; Manonmani, J.; Kandaswamy, M.; Fun, Hoong‐Kun

doi:10.1023/a:1027481831827

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“…Apart from the monosubstituted derivatives, there are some reports on the crystal structures of ortho and para disubstituted derivatives, e.g., HEPZOU (Zhang et al, 2018) and RACMEP (Lionetti et al, 2010). Moreover, dihydrobenzoxazine dimers can also have different substituents on both the phenol rings as in AMEFUT, AMEGAA and AMEGEE (Sony et al, 2003), resulting in considerable structural variety.…”

Section: Database Surveymentioning

confidence: 99%

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)

et al. 2020

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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%).

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Section: Database Surveymentioning

confidence: 99%