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Crystal structures of (E)-(3-ethyl-1-methyl-2,6-di-phenyl-piperidin-4-yl-idene)amino phenyl carbonate and (E)-(3-isopropyl-1-methyl-2,6-di-phenyl-piperidin-4-yl-idene)amino phenyl carbonate.

Raghuvarman B, Sivakumar R, Thanikachalam V, Aravindhan S - Acta Crystallogr Sect E Struct Rep Online (2014)

Bottom Line: In (I), these two planes are almost coplanar, with a dihedral angle of 2.05 (8)°, while in (II), this angle is 45.24 (13)°.The dimers are linked via C-H⋯π inter-actions forming a three-dimensional network.In the crystal of (II), there are no significant inter-molecular inter-actions present.

View Article: PubMed Central - HTML - PubMed

Affiliation: Department of Physics, Presidency College (Autonomous), Chennai 600 005, India.

ABSTRACT
In the title compounds, C27H28N2O3, (I), and C28H30N2O3, (II), the conformation about the C=N bond is E. The piperidine rings adopt chair conformations with the attached phenyl rings almost normal to their mean planes, the dihedral angles being 85.82 (8) and 85.84 (7)° in (I), and 87.98 (12) and 86.42 (13)° in (II). The phenyl rings are inclined to one another by 52.87 (8)° in (I) and by 60.51 (14)° in (II). The main difference in the conformation of the two compounds is the angle of inclination of the phen-oxy-carbonyl ring to the piperidine ring mean plane. In (I), these two planes are almost coplanar, with a dihedral angle of 2.05 (8)°, while in (II), this angle is 45.24 (13)°. In the crystal of (I), mol-ecules are linked by C-H⋯O hydrogen bonds, forming inversion dimers with R 2 (2)(14) loops. The dimers are linked via C-H⋯π inter-actions forming a three-dimensional network. In the crystal of (II), there are no significant inter-molecular inter-actions present.

No MeSH data available.


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The mol­ecular structure of compound (II), with the atom labelling. Displacement ellipsoids are drawn at the 50% probability level.
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fig2: The mol­ecular structure of compound (II), with the atom labelling. Displacement ellipsoids are drawn at the 50% probability level.

Mentions: The mol­ecular structure of compound (II) is shown in Fig. 2 ▶. The piperidine ring also adopts a chair conformation. The attached phenyl rings (C7—C12 and C13—C18) are twisted away from the mean plane of the piperidine ring by 87.98 (12) and 86.42 (13) °. The two phenyl rings are oriented to each other with a dihedral angle of 60.51 (14)°. In (II) the phen­oxy ring (C23–C28) is no longer coplanar with the mean plane of the piperidine ring but inclined to it by 45.24 (13)°. The sum of the bond angles around atom N1 (335.6°) is in accordance with sp3 hybridization. The isopropyl group substituted at position 5 of the piperidine moiety is in an equatorial orientation.


Crystal structures of (E)-(3-ethyl-1-methyl-2,6-di-phenyl-piperidin-4-yl-idene)amino phenyl carbonate and (E)-(3-isopropyl-1-methyl-2,6-di-phenyl-piperidin-4-yl-idene)amino phenyl carbonate.

Raghuvarman B, Sivakumar R, Thanikachalam V, Aravindhan S - Acta Crystallogr Sect E Struct Rep Online (2014)

The mol­ecular structure of compound (II), with the atom labelling. Displacement ellipsoids are drawn at the 50% probability level.
© Copyright Policy - open-access
Related In: Results  -  Collection

License
Show All Figures
getmorefigures.php?uid=PMC4257207&req=5

fig2: The mol­ecular structure of compound (II), with the atom labelling. Displacement ellipsoids are drawn at the 50% probability level.
Mentions: The mol­ecular structure of compound (II) is shown in Fig. 2 ▶. The piperidine ring also adopts a chair conformation. The attached phenyl rings (C7—C12 and C13—C18) are twisted away from the mean plane of the piperidine ring by 87.98 (12) and 86.42 (13) °. The two phenyl rings are oriented to each other with a dihedral angle of 60.51 (14)°. In (II) the phen­oxy ring (C23–C28) is no longer coplanar with the mean plane of the piperidine ring but inclined to it by 45.24 (13)°. The sum of the bond angles around atom N1 (335.6°) is in accordance with sp3 hybridization. The isopropyl group substituted at position 5 of the piperidine moiety is in an equatorial orientation.

Bottom Line: In (I), these two planes are almost coplanar, with a dihedral angle of 2.05 (8)°, while in (II), this angle is 45.24 (13)°.The dimers are linked via C-H⋯π inter-actions forming a three-dimensional network.In the crystal of (II), there are no significant inter-molecular inter-actions present.

View Article: PubMed Central - HTML - PubMed

Affiliation: Department of Physics, Presidency College (Autonomous), Chennai 600 005, India.

ABSTRACT
In the title compounds, C27H28N2O3, (I), and C28H30N2O3, (II), the conformation about the C=N bond is E. The piperidine rings adopt chair conformations with the attached phenyl rings almost normal to their mean planes, the dihedral angles being 85.82 (8) and 85.84 (7)° in (I), and 87.98 (12) and 86.42 (13)° in (II). The phenyl rings are inclined to one another by 52.87 (8)° in (I) and by 60.51 (14)° in (II). The main difference in the conformation of the two compounds is the angle of inclination of the phen-oxy-carbonyl ring to the piperidine ring mean plane. In (I), these two planes are almost coplanar, with a dihedral angle of 2.05 (8)°, while in (II), this angle is 45.24 (13)°. In the crystal of (I), mol-ecules are linked by C-H⋯O hydrogen bonds, forming inversion dimers with R 2 (2)(14) loops. The dimers are linked via C-H⋯π inter-actions forming a three-dimensional network. In the crystal of (II), there are no significant inter-molecular inter-actions present.

No MeSH data available.


Related in: MedlinePlus