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Syntheses and Crystal Structures of Two 2H-dibenzo[e, g]indazoles
Journal of Chemical Crystallography ( IF 0.4 ) Pub Date : 2020-05-19 , DOI: 10.1007/s10870-020-00835-4
Qiu-Ya Wang , Zun-Ting Zhang

In this paper, two 2H-dibenzo[e, g]indazoles, 6-methoxy-9-isopropoxy-2H-dibenzo[e, g]indazole(1) and 6-fluoro-9-methoxy-2H-dibenzo[e, g]indazole(2) have been one-pot synthesized from the corresponding isoflavones by two dehydration processes. They have been characterized by IR, NMR, HRMS and single crystal X-ray diffraction. Single crystal X-ray diffraction analyses show that 1 crystallizes in the orthorhombic space group P 212121, and 2 in the monoclinic space group P 21. For both structures, intermolecular hydrogen bonding, π…π and C−H…π interactions play an important role in the packing of the molecules. Two 2H-dibenzo[e, g]indazoles, 6-methoxy-9-isopropoxy-2H-dibenzo[e, g]indazole and 6-fluoro- 9-methoxy-2H-dibenzo[e, g]indazole have been one-pot synthesized from the corresponding isoflavones by two dehydration processes. Single crystal X-ray diffraction analyses show that hydrogen bonding, π…π and C–H…π interactions are present in both structures.

中文翻译:

两种2H-二苯并[e, g]吲唑的合成及晶体结构

在本文中,两种2H-二苯并[e, g]吲唑,6-甲氧基-9-异丙氧基-2H-二苯并[e, g]吲唑(1)和6-氟-9-甲氧基-2H-二苯并[e, g]吲唑(2) 是由相应的异黄酮通过两个脱水过程一锅合成的。它们已通过 IR、NMR、HRMS 和单晶 X 射线衍射表征。单晶 X 射线衍射分析表明,1 在正交空间群 P 212121 中结晶,2 在单斜空间群 P 21 中结晶。对于这两种结构,分子间氢键、π…π 和 C−H…π 相互作用起着重要的作用分子堆积中的作用。两种 2H-二苯并[e, g]吲唑、6-甲氧基-9-异丙氧基-2H-二苯并[e, g]吲唑和 6-氟-9-甲氧基-2H-二苯并[e, g]吲唑是一种-由相应的异黄酮通过两个脱水过程合成的锅。
更新日期:2020-05-19
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