Synthesis, crystal structure and Hirshfeld surface analysis of 2-{4-[(2-chloro-phen-yl)meth-yl]-3-methyl-6-oxopyridazin-1-yl}-N-phenyl-acetamide.

IF 0.5 Q4 CRYSTALLOGRAPHY
Hamza Assila, Younes Zaoui, Camille Kalonji Mubengayi, Walid Guerrab, Abdulsalam Alsubari, Joel T Mague, Youssef Ramli, Mhammed Ansar
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引用次数: 0

Abstract

In the title mol-ecule, C20H18ClN3O2, the 2-chloro-phenyl group is disordered to a small extent [occupancies 0.875 (2)/0.125 (2)]. The phenyl-acetamide moiety is nearly planar due to a weak, intra-molecular C-H⋯O hydrogen bond. In the crystal, N-H⋯O hydrogen bonds and π-stacking inter-actions between pyridazine and phenyl rings form helical chains of mol-ecules in the b-axis direction, which are linked by C-H⋯O hydrogen bonds and C-H⋯π(ring) inter-actions. A Hirshfeld surface analysis was performed, which showed that H⋯H, C⋯H/H⋯C and O⋯H/H⋯O inter-actions to dominate the inter-molecular contacts in the crystal.

2-{4-[(2-氯-苯基)甲基]-3-甲基-6-氧吡嗪-1-基}- n-苯基乙酰胺的合成、晶体结构和Hirshfeld表面分析
在标题分子C20H18ClN3O2中,2-氯苯基有小程度的无序[占有率0.875(2)/0.125(2)]。由于弱的分子内C-H⋯O氢键,苯基乙酰胺部分几乎是平面的。在晶体中,吡啶和苯基环之间的N-H⋯O氢键和π-堆叠相互作用在b轴方向形成分子的螺旋链,它们由C-H⋯O氢键和C-H⋯π(环)相互作用连接。进行了Hirshfeld表面分析,结果表明H⋯H, C⋯H/H⋯C和O⋯H/H⋯O相互作用主导了晶体中的分子间接触。
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来源期刊
CiteScore
1.90
自引率
0.00%
发文量
351
审稿时长
3 weeks
期刊介绍: Acta Crystallographica Section E: Crystallographic Communications is the IUCr''s open-access structural communications journal. It provides a fast, simple and easily accessible publication mechanism for crystal structure determinations of inorganic, metal-organic and organic compounds. The electronic submission, validation, refereeing and publication facilities of the journal ensure rapid and high-quality publication of fully validated structures. The primary article category is Research Communications; these are peer-reviewed articles describing one or more structure determinations with appropriate discussion of the science.
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