(1R,2S,5R)-5-Methyl-2-[2-(4-nitrophenyl)propan-2-yl]cyclohexyl 2-(4-methoxyphenyl)-2,5-dihydro-1H-pyrrole-1-carboxylate: crystal structure and Hirshfeld analysis

被引：0
|
作者：
Zukerman-Schpector, Julio [1 ]
Soto-Monsalve, Monica [2 ]
De Almeida Santos, Regina H. [2 ]
Machado, Angelo H. L. [3 ]
Correia, Carlos Roque D. [3 ]
Jotani, Mukesh M. [4 ]
Tiekink, Edward R. T. [5 ]
机构：
[1] Univ Fed Sao Carlos, Dept Quim, Lab Cristal Esterodinam & Modelagem Mol, BR-13565905 Sao Carlos, SP, Brazil
[2] Univ Sao Paulo, Inst Quim Sao Carlos, Sao Carlos, SP, Brazil
[3] Univ Estadual Campinas, UNICAMP, Inst Quim, CP 6154, BR-13084971 Campinas, SP, Brazil
[4] Bhavans Sheth RA Coll Sci, Dept Phys, Ahmadabad 380001, Gujarat, India
[5] Sunway Univ, Sch Sci & Technol, Ctr Crystalline Mat, Bandar Sunway 47500, Selangor Daru E, Malaysia
来源：
ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS | 2018年 / 74卷
关键词：
crystal structure; pyrrolidine alkaloid; Heck reaction; Hirshfeld surface analysis;
D O I：
10.1107/S2056989018003092
中图分类号：
O7 [晶体学];
学科分类号：
0702 ; 070205 ; 0703 ; 080501 ;
摘要：
In the title compound, C28H34N2O5, the adjacent ester and nitrobenzene substituents are connected via an intramolecular methylene-C-H center dot center dot center dot pi (nitrobenzene) interaction and the molecule approximates to a U-shape. The dihydropyrrole ring (r.m.s. deviation = 0.003 A degrees) is almost co-planar with the carboxylate residue [C-m-N-C1-O-c (m = methine, c = carboxyl) torsion angle = 1.8 (4)degrees] but is orthogonal to the 4-methoxybenzene ring [dihedral angle = 84.34 (17) degrees]. In the crystal, methylene-C-H center dot center dot center dot O(carbonyl) interactions lead to linear supramolecular chains along the b-axis direction, which pack without directional interactions between them. The analysis of the calculated Hirshfeld surface points to the importance of weak interatomic H center dot center dot center dot H, O center dot center dot center dot H/H center dot center dot center dot O and C center dot center dot center dot H/H center dot center dot center dot C contacts in the crystal.
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收藏
页码：414 / +
页数：12
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