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Crystal structure of trans-N,N′-bis­(3,5-di-tert-butyl-2-hy­droxy­phen­yl)oxamide methanol monosolvate

The here crystallized oxamide was previously characterized as an unsolvated species [Jímenez-Pérez et al. (2000 ▸). J. Organomet. Chem. 614–615, 283–293], and is now reported with methanol as a solvent of crystallization, C(30)H(44)N(2)O(4)·CH(3)OH, in a different space group. The introduction of th...

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Detalles Bibliográficos
Autores principales: Velázquez-Carmona, Miguel-Ángel, Bernès, Sylvain, Ríos-Merino, Francisco Javier, Reyes Ortega, Yasmi
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2016
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4992906/
https://www.ncbi.nlm.nih.gov/pubmed/27555931
http://dx.doi.org/10.1107/S205698901600880X
Descripción
Sumario:The here crystallized oxamide was previously characterized as an unsolvated species [Jímenez-Pérez et al. (2000 ▸). J. Organomet. Chem. 614–615, 283–293], and is now reported with methanol as a solvent of crystallization, C(30)H(44)N(2)O(4)·CH(3)OH, in a different space group. The introduction of the solvent influences neither the mol­ecular symmetry of the oxamide, which remains centrosymmetric, nor the mol­ecular conformation. However, the unsolvated mol­ecule crystallized as an ordered system, while many parts of the solvated crystal are disordered. The hy­droxy group in the oxamide is disordered over two chemically equivalent positions, with occupancies 0.696 (4):0.304 (4); one tert-butyl group is disordered by rotation about the C—C bond, and was modelled with three sites for each methyl group, each one with occupancy 1/3. Finally, the methanol solvent, which lies on a twofold axis, is disordered by symmetry. The disorder affecting hy­droxy groups and the solvent of crystallization allows the formation of numerous supra­molecular motifs using four hydrogen bonds, with N—H and O—H groups as donors and the oxamide and methanol mol­ecule as acceptors.