Ethyl 2-[4-(4-meth-oxy-benz-yl)-3-methyl-6-oxopyridazin-1-yl]acetate.

IUCrData Pub Date : 2022-06-07 eCollection Date: 2022-06-01 DOI:10.1107/S241431462200582X
Younes Zaoui, Hamza Assila, Joel T Mague, Abdulsalam Alsubari, Jamal Taoufik, Youssef Ramli, Mhammed Ansar
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Abstract

In the title mol-ecule, C17H20N2O4, the inner part of the ester substituent is nearly perpendicular to the di-hydro-pyridazine ring, forming a dihedral angle of 83.21 (7)°. In the crystal, inversion dimers are formed by pairwise C-H⋯O inter-actions with the dimers connected into chains extending along the b-axis direction by C-H⋯π(ring) inter-actions. The chains are connected by π-stacking inter-actions to give corrugated layers parallel to the ab plane. The terminal ethyl group is disordered over two two sets of sites with the major component having a site occupancy factor of 0.715 (10).

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Ethyl 2-[4-(4-meth-oxy-benz-yl)-3-methyl-6-oxopyridazin-1-yl]acetate.
在标题分子 C17H20N2O4 中,酯取代基的内部部分几乎垂直于二氢哒嗪环,形成 83.21 (7)° 的二面角。在晶体中,反转二聚体由成对的 C-H⋯O 相互作用形成,二聚体通过 C-H⋯π(环)相互作用连接成沿 b 轴方向延伸的链。这些链通过 π-stacking 相互作用连接起来,形成平行于 ab 平面的波纹层。末端乙基在两组位点上无序分布,主要部分的位点占有因子为 0.715 (10)。
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