<HashMap><database>biostudies-literature</database><scores/><additional><omics_type>Unknown</omics_type><volume>68(Pt 1)</volume><submitter>Guzei IA</submitter><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.</pubmed_abstract><journal>Acta crystallographica. Section E, Structure reports online</journal><pagination>m35-6</pagination><full_dataset_link>https://www.ebi.ac.uk/biostudies/studies/S-EPMC3254307</full_dataset_link><repository>biostudies-literature</repository><pubmed_title>Ethyl 3-ferrocenyl-1-(pyridin-2-ylmeth-yl)-1H-pyrazole-5-carboxyl-ate.</pubmed_title><pmcid>PMC3254307</pmcid><pubmed_authors>Guzei IA</pubmed_authors><pubmed_authors>Munyaneza A</pubmed_authors><pubmed_authors>Spencer LC</pubmed_authors><pubmed_authors>Darkwa J</pubmed_authors></additional><is_claimable>false</is_claimable><name>Ethyl 3-ferrocenyl-1-(pyridin-2-ylmeth-yl)-1H-pyrazole-5-carboxyl-ate.</name><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.</description><dates><release>2012-01-01T00:00:00Z</release><publication>2012 Jan</publication><modification>2025-04-26T21:40:24.981Z</modification><creation>2019-03-26T23:59:36Z</creation></dates><accession>S-EPMC3254307</accession><cross_references><pubmed>22259337</pubmed><doi>10.1107/S160053681105238X</doi></cross_references></HashMap>