四种二甲氧基苯甲醛异构体的晶体结构。
The crystal structures of four di-meth-oxy-benzaldehyde isomers.
作者信息
Brugman Sander J T, Engwerda Anthonius H J, Kalkman Emma, de Ronde Erik, Tinnemans Paul, Vlieg Elias
机构信息
Radboud University, Institute for Molecules and Materials, Heyendaalseweg 135, 6525 AJ Nijmegen, The Netherlands.
出版信息
Acta Crystallogr E Crystallogr Commun. 2019 Jan 1;75(Pt 1):38-42. doi: 10.1107/S2056989018017152.
The crystal structures of four di-meth-oxy-benzaldehyde (CHO) isomers, namely the 2,3-, 2,4-, 2,5- and 3,5- isomers, are reported and compared to the previously reported crystal structures of 3,4-di-meth-oxy-benzaldehyde and 2,6-di-meth-oxy-benzaldehyde. All di-meth-oxy-benzaldehyde mol-ecules in the crystal structures are nearly planar. The largest deviation (1.2 Å) from the aromatic plane is found for one of the meth-oxy groups of 2,3-di-meth-oxy-benzaldehyde. Upon rapid cooling of 3,4-di-meth-oxy-benzaldehyde and 3,5-di-meth-oxy-benzaldehyde, a metastable polymorph is formed. The crystal studied for the 3,5- isomer was refined as a two-component twin.
报道了四种二甲氧基苯甲醛（CHO）异构体，即2,3-、2,4-、2,5-和3,5-异构体的晶体结构，并与先前报道的3,4-二甲氧基苯甲醛和2,6-二甲氧基苯甲醛的晶体结构进行了比较。晶体结构中的所有二甲氧基苯甲醛分子几乎都是平面的。在2,3-二甲氧基苯甲醛的一个甲氧基中发现了与芳香平面的最大偏差（1.2 Å）。对3,4-二甲氧基苯甲醛和3,5-二甲氧基苯甲醛进行快速冷却时，会形成一种亚稳多晶型物。对3,5-异构体研究的晶体被精修为双组分孪晶。
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