Bis[1-phenyl-3-(1H-1,2,4-triazol-1-yl-κN4)propan-1-one]bis(thiocyanato-κN)copper(II)
The title compound, [Cu(NCS)2(C11H11N3O)2], contains two independent CuII atoms. Each CuII atom, lying on an inversion center, is coordinated by two N atoms from two NCS− anions and two N atoms from two monodentate 1-phenyl-3-(1H-1,2,4-triazol-1-yl)propan-1-one ligands in a distorted s...
| Main Authors: | , , |
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| Format: | Article |
| Language: | English |
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International Union of Crystallography
2012-08-01
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| Series: | Acta Crystallographica Section E |
| Online Access: | http://scripts.iucr.org/cgi-bin/paper?S160053681203108X |
| _version_ | 1819289004407783424 |
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| author | Hua Cai Ying Guo Jian-Gang Li |
| author_facet | Hua Cai Ying Guo Jian-Gang Li |
| author_sort | Hua Cai |
| collection | DOAJ |
| description | The title compound, [Cu(NCS)2(C11H11N3O)2], contains two independent CuII atoms. Each CuII atom, lying on an inversion center, is coordinated by two N atoms from two NCS− anions and two N atoms from two monodentate 1-phenyl-3-(1H-1,2,4-triazol-1-yl)propan-1-one ligands in a distorted square-planar geometry. Two S atoms from adjacent molecules occupy the axial positions with long Cu...S distances [3.0495 (10) and 3.1045 (9) Å] and complete the overall distorted octahedral coordination sphere. Weak intermolecular C—H...O hydrogen bonds are present. |
| first_indexed | 2024-12-24T02:59:57Z |
| format | Article |
| id | doaj.art-8b20841b1c1041279969e8038e142f97 |
| institution | Directory Open Access Journal |
| issn | 1600-5368 |
| language | English |
| last_indexed | 2024-12-24T02:59:57Z |
| publishDate | 2012-08-01 |
| publisher | International Union of Crystallography |
| record_format | Article |
| series | Acta Crystallographica Section E |
| spelling | doaj.art-8b20841b1c1041279969e8038e142f972022-12-21T17:18:15ZengInternational Union of CrystallographyActa Crystallographica Section E1600-53682012-08-01688m1115m111510.1107/S160053681203108XBis[1-phenyl-3-(1H-1,2,4-triazol-1-yl-κN4)propan-1-one]bis(thiocyanato-κN)copper(II)Hua CaiYing GuoJian-Gang LiThe title compound, [Cu(NCS)2(C11H11N3O)2], contains two independent CuII atoms. Each CuII atom, lying on an inversion center, is coordinated by two N atoms from two NCS− anions and two N atoms from two monodentate 1-phenyl-3-(1H-1,2,4-triazol-1-yl)propan-1-one ligands in a distorted square-planar geometry. Two S atoms from adjacent molecules occupy the axial positions with long Cu...S distances [3.0495 (10) and 3.1045 (9) Å] and complete the overall distorted octahedral coordination sphere. Weak intermolecular C—H...O hydrogen bonds are present.http://scripts.iucr.org/cgi-bin/paper?S160053681203108X |
| spellingShingle | Hua Cai Ying Guo Jian-Gang Li Bis[1-phenyl-3-(1H-1,2,4-triazol-1-yl-κN4)propan-1-one]bis(thiocyanato-κN)copper(II) Acta Crystallographica Section E |
| title | Bis[1-phenyl-3-(1H-1,2,4-triazol-1-yl-κN4)propan-1-one]bis(thiocyanato-κN)copper(II) |
| title_full | Bis[1-phenyl-3-(1H-1,2,4-triazol-1-yl-κN4)propan-1-one]bis(thiocyanato-κN)copper(II) |
| title_fullStr | Bis[1-phenyl-3-(1H-1,2,4-triazol-1-yl-κN4)propan-1-one]bis(thiocyanato-κN)copper(II) |
| title_full_unstemmed | Bis[1-phenyl-3-(1H-1,2,4-triazol-1-yl-κN4)propan-1-one]bis(thiocyanato-κN)copper(II) |
| title_short | Bis[1-phenyl-3-(1H-1,2,4-triazol-1-yl-κN4)propan-1-one]bis(thiocyanato-κN)copper(II) |
| title_sort | bis 1 phenyl 3 1h 1 2 4 triazol 1 yl amp 954 n4 propan 1 one bis thiocyanato amp 954 n copper ii |
| url | http://scripts.iucr.org/cgi-bin/paper?S160053681203108X |
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