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2-氨基-4-(4-氟苯基)-6-甲氧基-4H-苯并[h]色烯-3-腈

2-Amino-4-(4-fluoro-phen-yl)-6-meth-oxy-4H-benzo[h]chromene-3-carbonitrile.

作者信息

Al-Dies Al-Anood M, Amr Abdel-Galil E, El-Agrody Ahmed M, Chia Tze Shyang, Fun Hoong-Kun

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2012 Jun 1;68(Pt 6):o1934-5. doi: 10.1107/S1600536812023021. Epub 2012 May 31.

Abstract

In the title mol-ecule, C(21)H(15)FN(2)O(2), the dihedral angle between the fluoro-substituted benzene ring and the mean plane of the 4H-benzo[h]chromene ring system [maximum deviation = 0.109 (2) Å] is 83.35 (7)°. The pyran ring adopts a slight sofa conformation with the tertiary C(H) atom forming the flap. The meth-oxy group is slightly twisted from the attached benzene ring of the 4H-benzo[h]chromene moiety [C-O-C-C = -4.3 (3)°]. In the crystal, mol-ecules are linked by inter-molecular N-H⋯N hydrogen bonds into infinite wave-like chains along the b axis. The crystal packing is further stabilized by π-π inter-actions [centroid-centroid distance = 3.7713 (9) Å].

摘要

在标题分子C(21)H(15)FN(2)O(2)中,氟取代苯环与4H-苯并[h]色烯环系的平均平面之间的二面角[最大偏差 = 0.109 (2) Å]为83.35 (7)°。吡喃环呈轻微的沙发构象,叔碳(C(H))原子形成侧翼。甲氧基与4H-苯并[h]色烯部分相连的苯环略有扭曲[C-O-C-C = -4.3 (3)°]。在晶体中,分子通过分子间N-H⋯N氢键沿b轴连接成无限的波浪状链。晶体堆积通过π-π相互作用[质心-质心距离 = 3.7713 (9) Å]进一步稳定。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/1f39/3379488/0e44bd49f085/e-68-o1934-fig1.jpg

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