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

Acta Crystallographica Section E: Crystallographic Communications

Velá¹  s, S.²  zquez-Carmona, M.-Á³  Bernè⁴  Reyes Ortega, Y.⁵  os-Merino, F.J.⁶  .⁶  Rí⁷ 

[1]Centro de Quí

[2]Instituto de Fí

[3]mica, Instituto de Ciencias, Benemé

[4]noma de Puebla, 72570 Puebla, Pue., Mexico

[5]noma de Puebla, Av. San Claudio y 18 Sur, 72570 Puebla, Pue., Mexico

[6]rita Universidad Autó

[7]sica, Benemé

关键词: CRYSTAL STRUCTURE;    OXAMIDE;    DISORDER;    SOLVATE;    HYDROGEN BONDING;   

DOI  :  10.1107/S205698901600880X

学科分类：数学（综合）

来源: International Union of Crystallography

【 摘 要 】

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, 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.

【 授权许可】

CC BY