<HashMap><database>biostudies-literature</database><scores/><additional><omics_type>Unknown</omics_type><volume>67(Pt 5)</volume><submitter>Fun HK</submitter><pubmed_abstract>In the isoquinoline ring system of the title mol-ecule, C(18)H(20)N(2)O(5), the N-heterocyclic ring is in a half-boat conformation. The dioxa-2-aza-spiro 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 mol-ecular structure is stabilized by a weak intra-molecular C-H⋯O hydrogen bond, which generates a S(6) ring motif. In the crystal, mol-ecules are linked via weak inter-molecular C-H⋯O hydrogen bonds into a three-dimensional supra-molecular network. Additional stabilization is provided by π-π stacking inter-actions between symmetry-related benzene rings with a centroid-centroid distance of 3.6507 (5) Å.</pubmed_abstract><journal>Acta crystallographica. Section E, Structure reports online</journal><pagination>o1271-2</pagination><full_dataset_link>https://www.ebi.ac.uk/biostudies/studies/S-EPMC3089152</full_dataset_link><repository>biostudies-literature</repository><pubmed_title>(1S*,4'S*,5R*)-1-Isopropyl-5-meth-oxy-2',3-dimethyl-4,6-dioxa-2-aza-spiro-[bicyclo-[3.2.0]hept-2-ene-7,4'-isoquinoline]-1',3'(2'H,4'H)-dione.</pubmed_title><pmcid>PMC3089152</pmcid><pubmed_authors>Fun HK</pubmed_authors><pubmed_authors>Huang C</pubmed_authors><pubmed_authors>Quah CK</pubmed_authors><pubmed_authors>Yu H</pubmed_authors></additional><is_claimable>false</is_claimable><name>(1S*,4'S*,5R*)-1-Isopropyl-5-meth-oxy-2',3-dimethyl-4,6-dioxa-2-aza-spiro-[bicyclo-[3.2.0]hept-2-ene-7,4'-isoquinoline]-1',3'(2'H,4'H)-dione.</name><description>In the isoquinoline ring system of the title mol-ecule, C(18)H(20)N(2)O(5), the N-heterocyclic ring is in a half-boat conformation. The dioxa-2-aza-spiro 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 mol-ecular structure is stabilized by a weak intra-molecular C-H⋯O hydrogen bond, which generates a S(6) ring motif. In the crystal, mol-ecules are linked via weak inter-molecular C-H⋯O hydrogen bonds into a three-dimensional supra-molecular network. Additional stabilization is provided by π-π stacking inter-actions between symmetry-related benzene rings with a centroid-centroid distance of 3.6507 (5) Å.</description><dates><release>2011-01-01T00:00:00Z</release><publication>2011 May</publication><modification>2025-04-05T11:55:09.112Z</modification><creation>2019-03-27T00:01:04Z</creation></dates><accession>S-EPMC3089152</accession><cross_references><pubmed>21754556</pubmed><doi>10.1107/S1600536811015315</doi></cross_references></HashMap>