Abstract The temperature-sensitive monomer, acrylamido-4-(2-aminoethyl)morpholine (C9H16N2O2), has been synthesized and its crystal structure has been investigated by X-ray analysis and PM3 method. The compound crystallizes in monoclinic space group P21/c with a=4.830(1), b=23.940(3), c=9.048(2) A , β=91.35(2)°, V=1045.9(3) A 3 , Z=4, and D calc =1.17 mg m −3 . The title structure was solved by direct methods and refined to R=0.0542 for 1834 reflections by full-matrix anisotropic least-squares methods. The conformational study was carried out using PM3 semi-empirical method while rotating the torsion angle [N1–C1–C2–O1] in 10° steps.

中文翻译：

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丙烯酰胺-4-(2-氨基乙基)吗啉的构象和结构分析

摘要 合成了温度敏感单体丙烯酰胺-4-(2-氨基乙基)吗啉(C9H16N2O2)，并通过X射线分析和PM3法研究了其晶体结构。该化合物在单斜空间群 P21/c 中结晶，a=4.830(1), b=23.940(3), c=9.048(2) A , β=91.35(2)°, V=1045.9(3) A 3 , Z=4，并且D calc =1.17 mg m -3 。标题结构通过直接方法求解，并通过全矩阵各向异性最小二乘法将 1834 次反射精炼为 R=0.0542。使用 PM3 半经验方法进行构象研究，同时以 10° 步长旋转扭转角 [N1–C1–C2–O1]。