{"database":"biostudies-literature","file_versions":[],"scores":null,"additional":{"omics_type":["Unknown"],"volume":["70(Pt 6)"],"submitter":["Kavitha CN"],"pubmed_abstract":["In the title salt, C6H13N2O(+)·C6H2N3O7 (-) (systematic name: 4-acetyl-piperazin-1-ium 2,4,6-tri-nitro-phenolate), the piperazin-1-ium ring has a slightly distorted chair conformation. In the picrate anion, the mean planes of the two o-NO2 and p-NO2 groups are twisted with respect to the benzene ring by 15.0 (2), 68.9 (4) and 4.4 (3)°, respectively. In the crystal, N-H⋯O hydrogen bonds are observed, linking the ions into an infinite chain along [010]. In addition, weak cation-anion C-H⋯O inter-molecular inter-actions and a weak π-π stacking inter-action between the benzene rings of the anions, with an inter-centroid distance of 3.771 (8) Å, help to stabilize the crystal packing, giving an overall sheet structure lying parallel to (100). Disorder was modelled for one of the O atoms in one o"],"journal":["Acta crystallographica. Section E, Structure reports online"],"pagination":["o717-8"],"full_dataset_link":["https://www.ebi.ac.uk/biostudies/studies/S-EPMC4051097"],"repository":["biostudies-literature"],"pubmed_title":["4-Acetyl-piperazinium picrate."],"pmcid":["PMC4051097"],"pubmed_authors":["Jasinski JP","Yathirajan HS","Kavitha CN","Kaur M"],"additional_accession":[]},"is_claimable":false,"name":"4-Acetyl-piperazinium picrate.","description":"In the title salt, C6H13N2O(+)·C6H2N3O7 (-) (systematic name: 4-acetyl-piperazin-1-ium 2,4,6-tri-nitro-phenolate), the piperazin-1-ium ring has a slightly distorted chair conformation. In the picrate anion, the mean planes of the two o-NO2 and p-NO2 groups are twisted with respect to the benzene ring by 15.0 (2), 68.9 (4) and 4.4 (3)°, respectively. In the crystal, N-H⋯O hydrogen bonds are observed, linking the ions into an infinite chain along [010]. In addition, weak cation-anion C-H⋯O inter-molecular inter-actions and a weak π-π stacking inter-action between the benzene rings of the anions, with an inter-centroid distance of 3.771 (8) Å, help to stabilize the crystal packing, giving an overall sheet structure lying parallel to (100). Disorder was modelled for one of the O atoms in one o","dates":{"release":"2014-01-01T00:00:00Z","publication":"2014 Jun","modification":"2025-04-26T09:48:06.233Z","creation":"2019-03-27T01:29:49Z"},"accession":"S-EPMC4051097","cross_references":{"pubmed":["24940287"],"doi":["10.1107/S1600536814011726"]}}