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(1S*,4′S*,5R*)-1-Isopropyl-5-methoxy-2′,3-dimethyl-4,6-dioxa-2-azaspiro[bicyclo[3.2.0]hept-2-ene-7,4′-isoquinoline]-1′,3′(2′H,4′H)-dione

Authors :
Hoong-Kun Fun
Ching Kheng Quah
Chengmei Huang
Haitao Yu
Source :
Acta Crystallographica Section E, Vol 67, Iss 5, Pp o1271-o1272 (2011)
Publication Year :
2011
Publisher :
International Union of Crystallography, 2011.

Abstract

In the isoquinoline ring system of the title molecule, C18H20N2O5, the N-heterocyclic ring is in a half-boat conformation. The dioxa-2-azaspiro ring is essentially planar, with a maximum deviation of 0.029 (1) Å, and makes a dihedral angle of 30.63 (5)° with the benzene ring. The molecular structure is stabilized by a weak intramolecular C—H...O hydrogen bond, which generates a S(6) ring motif. In the crystal, molecules are linked via weak intermolecular C—H...O hydrogen bonds into a three-dimensional supramolecular network. Additional stabilization is provided by π–π stacking interactions between symmetry-related benzene rings with a centroid–centroid distance of 3.6507 (5) Å.

Subjects

Subjects :
Crystallography
QD901-999

Details

Language :
English
ISSN :
16005368
Volume :
67
Issue :
5
Database :
Directory of Open Access Journals
Journal :
Acta Crystallographica Section E
Publication Type :
Academic Journal
Accession number :
edsdoj.b631cc2069084cb1835d2b7e892051b3
Document Type :
article
Full Text :
https://doi.org/10.1107/S1600536811015315