Housecroft, C. E. and Constable, E. C.. (2023) C-H...X (X = F, Cl, Br, I) Versus π-Stacking in the Crystal Packing of Compounds Containing the {M(tpy)X₃} Motif. Crystals, 13 (6). p. 885.
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Abstract
Analysis of the data in the Cambridge Structural Database (CSD) for compounds containing an {M(tpy)X 3 } motif (tpy = 2,2':6',2"-terpyridine, M = any metal, X = F, Cl, Br, I) reveals 17 isostructural mononuclear [M(tpy)X 3 ] compounds crystallizing without lattice solvent; both face-to-face π-stacking of pyridine rings and C-H3/H3' . . . X hydrogen bonding appear to be equally important. Regardless of coordination number (CN = 6, 7 or 8) and nuclearity (mono- or dinuclear), a recurring packing feature in other compounds containing an {M(tpy)X 3 } unit is the presence of bifurcated Cl . . . H3/H3' interactions, complemented in some cases by Cl . . . H5'/H3" interactions, consistent with the acidic H3, H3', H5', and H3" atoms of a coordinated tpy ligand. Octahedral [M(tpy)F 3 ] complexes crystallize as hydrates with strong F . . . H-OH hydrogen bonding dominating the crystal packing
Faculties and Departments: | 05 Faculty of Science > Departement Chemie > Former Organization Units Chemistry > Anorganische Chemie (Constable) 05 Faculty of Science > Departement Chemie > Former Organization Units Chemistry > Anorganische Chemie (Housecroft) |
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UniBasel Contributors: | Housecroft, Catherine Elizabeth and Constable, Edwin Charles |
Item Type: | Article, refereed |
Article Subtype: | Research Article |
Publisher: | MDPI |
e-ISSN: | 2073-4352 |
Note: | Publication type according to Uni Basel Research Database: Journal article |
Language: | English |
Identification Number: | |
edoc DOI: | |
Last Modified: | 07 Jun 2024 15:33 |
Deposited On: | 26 Jun 2023 06:48 |
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