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Crystal structure of methyl 1-methyl-3,5-diphenyl-7-tosyl-3,6,7,11b-tetra-hydro-pyrazolo-[4',3':5,6]pyrano[3,4-c]quinoline-5a(5H)-carboxyl-ate.

Nadendla EK, Jagadeesan G, Kannan D, Bakthadoss M, Gunasekaran K - Acta Crystallogr Sect E Struct Rep Online (2014)

Bottom Line: The ribbons are linked by slipped parallel π-π inter-actions involving inversion-related pyrazole rings [inter-centroid distance = 3.672 (2) Å], forming slabs parallel to (001).A preliminary report of this structure has been published [Bakthadoss et al. (2014 ▶).Chem. pp. 1505-1513].

View Article: PubMed Central - HTML - PubMed

Affiliation: Centre of Advanced Study in Crystallography and Biophysics, University of Madras, Guindy Campus, Chennai 600 025, India.

ABSTRACT
In the title compound, C35H31N3O5S, the piperidine ring adopts an envelope conformation, with the methine C atom as the flap, and the pyran ring adopts a sofa conformation. The mean planes of these two rings are almost normal to one another, making a dihedral angle of 85.96 (5)°. The two phenyl rings, one attached to the pyrazole ring and the other to the pyran ring, are inclined to one another by 65.41 (11)°. They are inclined to the mean planes of the rings to which they are attached by 12.59 (11) and 70.09 (9)°, respectively. There is an intra-molecular C-H⋯π inter-action involving the tosyl-ate methyl group and the phenyl ring attached to the pyrazole ring. In the crystal, mol-ecules are linked by C-H⋯π inter-actions, forming ribbons parallel to (10-2). The ribbons are linked by slipped parallel π-π inter-actions involving inversion-related pyrazole rings [inter-centroid distance = 3.672 (2) Å], forming slabs parallel to (001). A preliminary report of this structure has been published [Bakthadoss et al. (2014 ▶). Eur. J. Org. Chem. pp. 1505-1513].

No MeSH data available.


Related in: MedlinePlus

A view along the c axis of the crystal packing of the title compound, showing the C—H···π interactions as dashed lines (H atoms as silver balls; see Table 1 for details; H atoms not involved in these interactions have been omitted for clarity).
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Fap3: A view along the c axis of the crystal packing of the title compound, showing the C—H···π interactions as dashed lines (H atoms as silver balls; see Table 1 for details; H atoms not involved in these interactions have been omitted for clarity).


Crystal structure of methyl 1-methyl-3,5-diphenyl-7-tosyl-3,6,7,11b-tetra-hydro-pyrazolo-[4',3':5,6]pyrano[3,4-c]quinoline-5a(5H)-carboxyl-ate.

Nadendla EK, Jagadeesan G, Kannan D, Bakthadoss M, Gunasekaran K - Acta Crystallogr Sect E Struct Rep Online (2014)

A view along the c axis of the crystal packing of the title compound, showing the C—H···π interactions as dashed lines (H atoms as silver balls; see Table 1 for details; H atoms not involved in these interactions have been omitted for clarity).
© Copyright Policy - open-access
Related In: Results  -  Collection

License
Show All Figures
getmorefigures.php?uid=PMC4257454&req=5

Fap3: A view along the c axis of the crystal packing of the title compound, showing the C—H···π interactions as dashed lines (H atoms as silver balls; see Table 1 for details; H atoms not involved in these interactions have been omitted for clarity).
Bottom Line: The ribbons are linked by slipped parallel π-π inter-actions involving inversion-related pyrazole rings [inter-centroid distance = 3.672 (2) Å], forming slabs parallel to (001).A preliminary report of this structure has been published [Bakthadoss et al. (2014 ▶).Chem. pp. 1505-1513].

View Article: PubMed Central - HTML - PubMed

Affiliation: Centre of Advanced Study in Crystallography and Biophysics, University of Madras, Guindy Campus, Chennai 600 025, India.

ABSTRACT
In the title compound, C35H31N3O5S, the piperidine ring adopts an envelope conformation, with the methine C atom as the flap, and the pyran ring adopts a sofa conformation. The mean planes of these two rings are almost normal to one another, making a dihedral angle of 85.96 (5)°. The two phenyl rings, one attached to the pyrazole ring and the other to the pyran ring, are inclined to one another by 65.41 (11)°. They are inclined to the mean planes of the rings to which they are attached by 12.59 (11) and 70.09 (9)°, respectively. There is an intra-molecular C-H⋯π inter-action involving the tosyl-ate methyl group and the phenyl ring attached to the pyrazole ring. In the crystal, mol-ecules are linked by C-H⋯π inter-actions, forming ribbons parallel to (10-2). The ribbons are linked by slipped parallel π-π inter-actions involving inversion-related pyrazole rings [inter-centroid distance = 3.672 (2) Å], forming slabs parallel to (001). A preliminary report of this structure has been published [Bakthadoss et al. (2014 ▶). Eur. J. Org. Chem. pp. 1505-1513].

No MeSH data available.


Related in: MedlinePlus