Abstract
The molecule of the title compound, C23H28N2O, exists in a twin-chair conformation, with equatorial orientation of the ortho-tolyl groups on both sides of the secondary amino group. The title oxime compound and its ketone precursor 2,4-bis(2-methylphenyl)-3-azabicyclo[3.3.1]nonan-9-one exhibit similar stereochemistries, with the orientation of the o-tolyl rings almost identical in both compounds. In the title compound, the tolyl rings are at an angle of 23.77 (3)° with respect to one another; the angle in the precursor is 29.4 (1)° [Vijayalakshmi, Parthasarathi, Venkatraj & Jeyaraman (2000 ▶), Acta Cryst. C56, 1240–1241]. The cyclohexane ring and the oxime ether are disordered over two alternative orientations, with a refined site-occupancy ratio of 0.813 (2):0.186 (4). The crystal structure of the title compound is stabilized by intermolecular N—H⋯π interactions.
Highlights
The molecule of the title compound, C23H28N2O, exists in a twin-chair conformation, with equatorial orientation of the ortho-tolyl groups on both sides of the secondary amino group
The tolyl rings are at an angle of 23.77 (3) with respect to one another; the angle in the precursor is 29.4 (1)
The cyclohexane ring and the oxime ether are disordered over two alternative orientations, with a refined site-occupancy ratio of 0.813 (2):0.186 (4)
Summary
608 739, Republic of Korea, and bDepartment of Chemistry, IIT Madras, Chennai, TamilNadu, India. Key indicators: single-crystal X-ray study; T = 298 K; mean (C–C) = 0.003 Å; disorder in main residue; R factor = 0.060; wR factor = 0.169; data-to-parameter ratio = 15.3. The molecule of the title compound, C23H28N2O, exists in a twin-chair conformation, with equatorial orientation of the ortho-tolyl groups on both sides of the secondary amino group. The title oxime compound and its ketone precursor 2,4bis(2-methylphenyl)-3-azabicyclo[3.3.1]nonan-9-one exhibit similar stereochemistries, with the orientation of the o-tolyl rings almost identical in both compounds. The tolyl rings are at an angle of 23.77 (3) with respect to one another; the angle in the precursor is 29.4 (1). The cyclohexane ring and the oxime ether are disordered over two alternative orientations, with a refined site-occupancy ratio of 0.813 (2):0.186 (4). The crystal structure of the title compound is stabilized by intermolecular N—H interactions
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