{"database":"biostudies-literature","file_versions":[],"scores":null,"additional":{"omics_type":["Unknown"],"volume":["67(Pt 9)"],"submitter":["Letessier J"],"pubmed_abstract":["The title compound, C(21)H(13)NO(2), was prepared as an example of a new synthesis of carbazoles from a cyclic dibenzo-iodo-lium salt via a twofold Pd-catalysed aryl-ation of a primary amine. The two essentially planar π-subsystems [maximum deviations from the mean square plane of 0.038 (2) Å in the carbazole and 0.059 (2) Å in the coumarine unit] open a dihedral angle of 63.05 (4)°. Two mol-ecules form a centrosymmetrical pair connected via π-π inter-actions between the pyrrole and pyrone rings [centroid-centroid distance = 3.882 (1) Å] and one benzene of the carbazole and the pyrone unit [centroid-centroid distance 3.824 (1) Å]. The lattice is stabilized by C-H⋯O bridging to both coumarin O atoms."],"journal":["Acta crystallographica. Section E, Structure reports online"],"pagination":["o2494"],"full_dataset_link":["https://www.ebi.ac.uk/biostudies/studies/S-EPMC3200909"],"repository":["biostudies-literature"],"pubmed_title":["3-(9H-Carbazol-9-yl)-2H-chromen-2-one."],"pmcid":["PMC3200909"],"pubmed_authors":["Detert H","Letessier J","Schollmeyer D"],"additional_accession":[]},"is_claimable":false,"name":"3-(9H-Carbazol-9-yl)-2H-chromen-2-one.","description":"The title compound, C(21)H(13)NO(2), was prepared as an example of a new synthesis of carbazoles from a cyclic dibenzo-iodo-lium salt via a twofold Pd-catalysed aryl-ation of a primary amine. The two essentially planar π-subsystems [maximum deviations from the mean square plane of 0.038 (2) Å in the carbazole and 0.059 (2) Å in the coumarine unit] open a dihedral angle of 63.05 (4)°. Two mol-ecules form a centrosymmetrical pair connected via π-π inter-actions between the pyrrole and pyrone rings [centroid-centroid distance = 3.882 (1) Å] and one benzene of the carbazole and the pyrone unit [centroid-centroid distance 3.824 (1) Å]. The lattice is stabilized by C-H⋯O bridging to both coumarin O atoms.","dates":{"release":"2011-01-01T00:00:00Z","publication":"2011 Sep","modification":"2025-04-04T08:05:44.529Z","creation":"2019-03-26T23:59:28Z"},"accession":"S-EPMC3200909","cross_references":{"pubmed":["22059044"],"doi":["10.1107/S1600536811034660"]}}