{"database":"biostudies-literature","file_versions":[],"scores":null,"additional":{"omics_type":["Unknown"],"volume":["76(Pt 11)"],"submitter":["Tanaka T"],"pubmed_abstract":["The title crystalline compound, [Cu<sub>2</sub>(NCS)<sub>2</sub>(C<sub>9</sub>H<sub>16</sub>N<sub>2</sub>)<sub>2</sub>], was obtained from the reaction of copper(I) thio-cyanate (CuSCN) with (<i>N</i>-prop-2-en-1-yl)piperidine-1-carbo-thio-amide as a chelating and bridging thio-urea ligand in chloro-benzene. The Cu<sub>2</sub>S<sub>2</sub> core of the dimeric mol-ecule is situated on a crystallographic inversion centre. The copper atom is coordinated by a thio-cyanate nitro-gen atom, each sulfur atom of the two thio-urea ligands, and the C=C double bond of the ligand in a distorted tetra-hedral geometry. The dimers are linked by N-H⋯S hydrogen bonds, forming a network extending in two dimensions parallel to (100)."],"journal":["Acta crystallographica. Section E, Crystallographic communications"],"pagination":["1712-1715"],"full_dataset_link":["https://www.ebi.ac.uk/biostudies/studies/S-EPMC7643236"],"repository":["biostudies-literature"],"pubmed_title":["Crystal structure of bis-[μ-<i>N</i>-(η<sup>2</sup>-prop-2-en-1-yl)piperidine-1-carbo-thio-amide-κ<sup>2</sup> <i>S</i>:<i>S</i>]bis-[(thio-cyanato-κ<i>N</i>)copper(I)]."],"pmcid":["PMC7643236"],"pubmed_authors":["Nakagawa M","Kashiwagi Y","Tanaka T"],"additional_accession":[]},"is_claimable":false,"name":"Crystal structure of bis-[μ-<i>N</i>-(η<sup>2</sup>-prop-2-en-1-yl)piperidine-1-carbo-thio-amide-κ<sup>2</sup> <i>S</i>:<i>S</i>]bis-[(thio-cyanato-κ<i>N</i>)copper(I)].","description":"The title crystalline compound, [Cu<sub>2</sub>(NCS)<sub>2</sub>(C<sub>9</sub>H<sub>16</sub>N<sub>2</sub>)<sub>2</sub>], was obtained from the reaction of copper(I) thio-cyanate (CuSCN) with (<i>N</i>-prop-2-en-1-yl)piperidine-1-carbo-thio-amide as a chelating and bridging thio-urea ligand in chloro-benzene. The Cu<sub>2</sub>S<sub>2</sub> core of the dimeric mol-ecule is situated on a crystallographic inversion centre. The copper atom is coordinated by a thio-cyanate nitro-gen atom, each sulfur atom of the two thio-urea ligands, and the C=C double bond of the ligand in a distorted tetra-hedral geometry. The dimers are linked by N-H⋯S hydrogen bonds, forming a network extending in two dimensions parallel to (100).","dates":{"release":"2020-01-01T00:00:00Z","publication":"2020 Nov","modification":"2024-11-06T05:29:39.575Z","creation":"2020-11-22T09:39:19Z"},"accession":"S-EPMC7643236","cross_references":{"pubmed":["33209338"],"doi":["10.1107/S2056989020013146"]}}