B. Chidambaranathan, S. Sivaraj, P. Vijayamathubalan, S. Abraham Rajasekar, S. Selvakumar
{"title":"[4-(2-氨基乙基)吗啉-κ2 N,N′]二溴镉(II):合成、晶体结构和 Hirshfeld 表面分析","authors":"B. Chidambaranathan, S. Sivaraj, P. Vijayamathubalan, S. Abraham Rajasekar, S. Selvakumar","doi":"10.1107/s2056989024000963","DOIUrl":null,"url":null,"abstract":"The title compound, [CdBr2(C6H14N2O)], was synthesized upon complexation of 4-(2-aminoethyl)morpholine and cadmium(II) bromide tetrahydrate at 303 K. It crystallizes as a centrosymmetric dimer, with one cadmium atom, two bromine atoms and one N,N′-bidentate 4-(2-aminoethyl)morpholine ligand in the asymmetric unit. The metal atom is six-coordinated and has a distorted octahedral geometry. In the crystal, O...Cd interactions link the dimers into a polymeric double chain and intermolecular C—H...O hydrogen bonds form R\n 2\n 2(6) ring motifs. Further C—H...Br and N—H...Br hydrogen bonds link the components into a three-dimensional network. As the N—H...Br hydrogen bonds are shorter than the C—H...Br interactions, they have a larger effect on the packing. A Hirshfeld surface analysis reveals that the largest contributions to the packing are from H...H (46.1%) and Br...H/H...Br (38.9%) interactions with smaller contributions from the O...H/H...O (4.7%), Br...Cd/Cd...Br (4.4%), O...Cd/Cd...O (3.5%), Br...Br (1.1%), Cd...H/H...Cd (0.9%), Br...O/O...Br (0.3%) and O...N/N...O (0.1%) contacts.","PeriodicalId":504738,"journal":{"name":"Acta Crystallographica Section E Crystallographic Communications","volume":"6 4","pages":""},"PeriodicalIF":0.0000,"publicationDate":"2024-02-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"[4-(2-Aminoethyl)morpholine-κ2\\n N,N′]dibromidocadmium(II): synthesis, crystal structure and Hirshfeld surface analysis\",\"authors\":\"B. Chidambaranathan, S. Sivaraj, P. Vijayamathubalan, S. Abraham Rajasekar, S. Selvakumar\",\"doi\":\"10.1107/s2056989024000963\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"The title compound, [CdBr2(C6H14N2O)], was synthesized upon complexation of 4-(2-aminoethyl)morpholine and cadmium(II) bromide tetrahydrate at 303 K. It crystallizes as a centrosymmetric dimer, with one cadmium atom, two bromine atoms and one N,N′-bidentate 4-(2-aminoethyl)morpholine ligand in the asymmetric unit. The metal atom is six-coordinated and has a distorted octahedral geometry. In the crystal, O...Cd interactions link the dimers into a polymeric double chain and intermolecular C—H...O hydrogen bonds form R\\n 2\\n 2(6) ring motifs. Further C—H...Br and N—H...Br hydrogen bonds link the components into a three-dimensional network. As the N—H...Br hydrogen bonds are shorter than the C—H...Br interactions, they have a larger effect on the packing. A Hirshfeld surface analysis reveals that the largest contributions to the packing are from H...H (46.1%) and Br...H/H...Br (38.9%) interactions with smaller contributions from the O...H/H...O (4.7%), Br...Cd/Cd...Br (4.4%), O...Cd/Cd...O (3.5%), Br...Br (1.1%), Cd...H/H...Cd (0.9%), Br...O/O...Br (0.3%) and O...N/N...O (0.1%) contacts.\",\"PeriodicalId\":504738,\"journal\":{\"name\":\"Acta Crystallographica Section E Crystallographic Communications\",\"volume\":\"6 4\",\"pages\":\"\"},\"PeriodicalIF\":0.0000,\"publicationDate\":\"2024-02-08\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Acta Crystallographica Section E Crystallographic Communications\",\"FirstCategoryId\":\"1085\",\"ListUrlMain\":\"https://doi.org/10.1107/s2056989024000963\",\"RegionNum\":0,\"RegionCategory\":null,\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"\",\"JCRName\":\"\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Acta Crystallographica Section E Crystallographic Communications","FirstCategoryId":"1085","ListUrlMain":"https://doi.org/10.1107/s2056989024000963","RegionNum":0,"RegionCategory":null,"ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"","JCRName":"","Score":null,"Total":0}
[4-(2-Aminoethyl)morpholine-κ2
N,N′]dibromidocadmium(II): synthesis, crystal structure and Hirshfeld surface analysis
The title compound, [CdBr2(C6H14N2O)], was synthesized upon complexation of 4-(2-aminoethyl)morpholine and cadmium(II) bromide tetrahydrate at 303 K. It crystallizes as a centrosymmetric dimer, with one cadmium atom, two bromine atoms and one N,N′-bidentate 4-(2-aminoethyl)morpholine ligand in the asymmetric unit. The metal atom is six-coordinated and has a distorted octahedral geometry. In the crystal, O...Cd interactions link the dimers into a polymeric double chain and intermolecular C—H...O hydrogen bonds form R
2
2(6) ring motifs. Further C—H...Br and N—H...Br hydrogen bonds link the components into a three-dimensional network. As the N—H...Br hydrogen bonds are shorter than the C—H...Br interactions, they have a larger effect on the packing. A Hirshfeld surface analysis reveals that the largest contributions to the packing are from H...H (46.1%) and Br...H/H...Br (38.9%) interactions with smaller contributions from the O...H/H...O (4.7%), Br...Cd/Cd...Br (4.4%), O...Cd/Cd...O (3.5%), Br...Br (1.1%), Cd...H/H...Cd (0.9%), Br...O/O...Br (0.3%) and O...N/N...O (0.1%) contacts.