{"database":"biostudies-literature","file_versions":[],"scores":null,"additional":{"omics_type":["Unknown"],"volume":["68(Pt 1)"],"submitter":["Guzei IA"],"pubmed_abstract":["The title compound, [Fe(C(5)H(5))(C(17)H(16)N(3)O(2))], crystallizes with an essentially eclipsed conformation of the cyclo-penta-dienyl (Cp) rings. The unsubstituted ring is disordered over two positions with the major component being present 90 (1)% of the time. The substituted Cp ring, the pyrazole ring and three atoms of the eth-oxy-carbonyl group form a conjugated π-system. These 13 atoms are coplanar within 0.09 Å."],"journal":["Acta crystallographica. Section E, Structure reports online"],"pagination":["m35-6"],"full_dataset_link":["https://www.ebi.ac.uk/biostudies/studies/S-EPMC3254307"],"repository":["biostudies-literature"],"pubmed_title":["Ethyl 3-ferrocenyl-1-(pyridin-2-ylmeth-yl)-1H-pyrazole-5-carboxyl-ate."],"pmcid":["PMC3254307"],"pubmed_authors":["Guzei IA","Munyaneza A","Spencer LC","Darkwa J"],"additional_accession":[]},"is_claimable":false,"name":"Ethyl 3-ferrocenyl-1-(pyridin-2-ylmeth-yl)-1H-pyrazole-5-carboxyl-ate.","description":"The title compound, [Fe(C(5)H(5))(C(17)H(16)N(3)O(2))], crystallizes with an essentially eclipsed conformation of the cyclo-penta-dienyl (Cp) rings. The unsubstituted ring is disordered over two positions with the major component being present 90 (1)% of the time. The substituted Cp ring, the pyrazole ring and three atoms of the eth-oxy-carbonyl group form a conjugated π-system. These 13 atoms are coplanar within 0.09 Å.","dates":{"release":"2012-01-01T00:00:00Z","publication":"2012 Jan","modification":"2025-04-26T21:40:24.981Z","creation":"2019-03-26T23:59:36Z"},"accession":"S-EPMC3254307","cross_references":{"pubmed":["22259337"],"doi":["10.1107/S160053681105238X"]}}