Crystal structure of methyl 6-methoxy-11-(4-methoxyphenyl)-16-methyl-14-phenyl-8,12-dioxa-14,15-diazatetracyclo[8.7.0.0 2,7 .0 13,17 ]heptadeca-2(7),3,5,13(17),15-pentaene-10-carboxylate
In the title compound, C 30 H 28 N 2 O 6 , the pyran ring adopts a slightly distorted half-chair conformation and the pyrone ring adopts an envelope conformation, with the C atom bearing the carboxylate group as the flap. The pyrazole ring [maximum deviation = 0.002 (2) Å] forms a dihedral angle of...
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Veröffentlicht in: | Acta crystallographica. Section E, Structure reports online Structure reports online, 2014-09, Vol.70 (9), p.127-129 |
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Hauptverfasser: | , , , |
Format: | Artikel |
Sprache: | eng |
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Zusammenfassung: | In the title compound, C
30
H
28
N
2
O
6
, the pyran ring adopts a slightly distorted half-chair conformation and the pyrone ring adopts an envelope conformation, with the C atom bearing the carboxylate group as the flap. The pyrazole ring [maximum deviation = 0.002 (2) Å] forms a dihedral angle of 13.2 (1)° with the attached benzene ring. The near-planar atoms of the pyran ring and the pyrazole ring are close to coplanar, the dihedral angles between their mean planes being 6.4 (1)°. The dihedral angle between the pyrone ring and the benzene ring of the chromene unit is 10.7 (1)°. The molecular conformation is stabilized by an intramolecular C—H...O hydrogen bond, which generates an
S
(6) ring motif. In the crystal, C—H...O interactions generate supramolecular chains propagating in [100] and these are connected into double layers that stack along the
c
-axis direction by weak π–π interactions between pyrazole rings [centroid–centroid distance = 3.801 (1) Å]. |
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ISSN: | 1600-5368 1600-5368 |
DOI: | 10.1107/S1600536814017929 |