The crystal structure of 1-(tert-butyl) 3-ethyl 3-(hydroxy(thiophen-2-yl)methyl)piperidine-1,3-dicarboxylate (C₁₈H₂₅NO₅S) I has been determined by Single Crystal X-ray Diffraction (SCXRD) techniques. It crystallizes in the orthorhombic space group Pca2₁ with unit cell parameters a = 19.4502(13)Å, b= 6.3571(4)Å, c= 15.2577(10) Å and number of molecules per unit cell, z = 4. The intensity data have been collected at room température (293 K) and the structure has been solved by direct methods. The full matrix least-squares refinement has converged the final R-value to 0.035 for 2251 observed reflections. The piperidine ring adopts a chair conformation. The structure is stabilized by two C–H…O (intermolecular interactions) and five C–H…O (intramolecular interactions). The structural and spectral studies of 1-(tert-butyl) 3-ethyl 3-(hydroxy(thiophen-2-yl)methyl)piperidine-1,3-dicarboxylate have been carried out by using both experimental and quantum chemical techniques.

中文翻译：

---

1-（叔丁基）3-乙基-3-（羟基（噻吩-2-基）甲基）哌啶-1,3-二羧酸酯的合成，FT-IR，UV-VIS，DFT研究和SCXRD结构

通过单晶测定了1-（叔丁基）3-乙基3-（羟基（噻吩-2-基）甲基）哌啶-1,3-二羧酸（C ₁₈ H ₂₅ NO ₅ S）I的晶体结构X射线衍射（SCXRD）技术。它在正交空间群Pca2 _1中结晶。晶胞参数a = 19.4502（13）Å，b = 6.3571（4）Å，c = 15.2577（10）Å，每个晶胞的分子数z = 4.强度数据是在室温下收集的（293 K），并且已经通过直接方法解决了结构。对于2251个观察到的反射，完整的矩阵最小二乘优化已将最终R值收敛到0.035。哌啶环采用椅子构型。通过两个C–H…O（分子间相互作用）和五个C–H…O（分子间相互作用）来稳定结构。通过使用实验和量子化学技术已经进行了1-（叔丁基）3-乙基3-（羟基（噻吩-2-基）甲基）哌啶-1,3-二羧酸酯的结构和光谱研究。