Title of article :
Crystal structure of trans-N,N′-bis­­(3,5-di-tert-butyl-2-hy­dr­oxy­phen­yl)oxamide methanol monosolvate
Author/Authors :
Velázquez-Carmona, Miguel-Ángel Centro de Química - Instituto de Ciencias - Benemérita Universidad Autónoma de Puebla, , Mexico , Ríos-Merinoa, Francisco Javier Centro de Química - Instituto de Ciencias - Benemérita Universidad Autónoma de Puebla, , Mexico , Ortegaa, Yasmi Reyes Centro de Química - Instituto de Ciencias - Benemérita Universidad Autónoma de Puebla, , Mexico
Pages :
11
From page :
1
To page :
11
Abstract :
The here crystallized oxamide was previously characterized as an unsolvated species [Jímenez-Pérez et al. (2000[Jímenez-Pérez, V. M., Camacho-Camacho, C., Güizado-Rodríguez, M., Nöth, H. & Contreras, R. (2000). J. Organomet. Chem. 614-615, 283-293.]). J. Organomet. Chem. 614–615, 283–293], and is now reported with methanol as a solvent of crystallization, C30H44N2O4·CH3OH, 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.
Keywords :
hydrogen bonding. , solvate , disorder , oxamide , crystal structure
Journal title :
Acta Crystallographica Section E: Crystallographic Communications
Serial Year :
2016
Full Text URL :
Record number :
2618335
Link To Document :
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