Two independent mol-ecules comprise the asymmetric unit in the title benzoxatellurole compound, C(12)H(17)ClOTe. The mol-ecules, with the same chirality at the methine C atom, are connected into a loosely associated dimer by Teâ¯O inter-actions, leading to a {â¯Te-O}(2) core. The resultant C(2)ClO(2) donor set approximates a square pyramid with the lone pair of electrons projected to occupy a position trans to the n-butyl substituent. Inter-estingly, the Te(IV) atoms exhibit opposite chirality. The major difference between the independent mol-ecules relates to the conformation of the five-membered chelate rings, which is an envelope with the O atom being the flap, in one mol-ecule and is twisted about the O-C(methine) bond in the other. No directional inter-molecular inter-actions are noted in the mol-ecular packing beyond the aforementioned Teâ¯O secondary bonding. The analysis of the Hirshfeld surface reveals the dominance of Hâ¯H contacts, i.e. contributing about 70% to the overall surface, and clearly differentiates the immediate crystalline environments of the two independent mol-ecules in terms of both Hâ¯H and Hâ¯Cl/Clâ¯H contacts.
1-Butyl-1-chloro-3-methyl-3H-2,1λ(4)-benzoxa-tellurole: crystal structure and Hirshfeld analysis.
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作者:Zukerman-Schpector Julio, Cunha Rodrigo, Omori Ãlvaro T, Sousa Madureira Lucas, Tiekink Edward R T
| 期刊: | Acta Crystallographica Section E: Crystallographic Communications | 影响因子: | 0.500 |
| 时间: | 2017 | 起止号: | 2017 Mar 24; 73(Pt 4):564-568 |
| doi: | 10.1107/S2056989017003887 | ||
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