Zhu Zhao-Fu, Shen Xi-Hai, Tang Xiao-Guang
Department of Chemistry, Hebei Normal College of Science and Technology, Qinhuangdao 066600, People's Republic of China.
Acta Crystallogr Sect E Struct Rep Online. 2008 Sep 20;64(Pt 10):o1965-6. doi: 10.1107/S1600536808029498.
The title compound, C(19)H(19)N(3)O(3), prepared by condensing 4-amino-anti-pyrine and 4-meth-oxy-2-hydroxy-benzaldehyde in methanol, is the second monoclinic polymorph of this compound which crystallizes in the space group C2/c. The structure was previously reported [Wang, Zhang, Yan, Zheng & Yang (2007 ▶). Acta Cryst. E63, o1245-o1246] in the space group P2(1)/c. The hydroxyl group is disordered over two positions with occupancies of 0.787 (4) and 0.213 (4). The triply substituted benzene ring and the phenyl ring form dihedral angles of 12.2 (2) and 53.7 (2)°, respectively, with the pyrazolone ring; the corresponding values in the P2(1)/c polymorph are 7.5 (2) and 42.6 (2)°. Intra-molecular O-H⋯N and C-H⋯O hydrogen bonds are observed in the major disorder component. Adjacent molecules are linked through intermolecular O-H⋯O hydrogen bonds, forming dimers.
标题化合物C(19)H(19)N(3)O(3)是通过4-氨基安替比林与4-甲氧基-2-羟基苯甲醛在甲醇中缩合制备的，它是该化合物的第二种单斜晶系多晶型物，结晶于空间群C2/c。该结构先前已在空间群P2(1)/c中报道[Wang, Zhang, Yan, Zheng & Yang (2007 ▶). Acta Cryst. E63, o1245 - o1246]。羟基在两个位置上无序分布，占有率分别为0.787 (4)和0.213 (4)。三取代苯环和苯环与吡唑啉酮环分别形成12.2 (2)°和53.7 (2)°的二面角；在P2(1)/c多晶型物中的相应值为7.5 (2)°和42.6 (2)°。在主要无序组分中观察到分子内O-H⋯N和C-H⋯O氢键。相邻分子通过分子间O-H⋯O氢键相连，形成二聚体。
