(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.
引用
收藏
页码：414 / +
页数：12
相关论文
共 50 条
  • [21] Crystal structure of N-(5-(2-(benzyl(1-(4-methoxyphenyl)propan-2-yl)amino)-1-hydroxyethyl)-2-(benzyloxy)phenyl)formamide, C33H36N2O4
    Xu, Qin-Juan
    ZEITSCHRIFT FUR KRISTALLOGRAPHIE-NEW CRYSTAL STRUCTURES, 2021, 236 (03): : 647 - 649
  • [22] Crystal structure and absolute configuration of (1R,2S,5R)-menthyl(2S)-2-(diphenylphosphinoyl)propanoate: Attempted resolution and chiral synthesis of 2-(diphenylphosphinoyl)propanoic acid
    Cross, RJ
    Farrugia, LJ
    Newman, PD
    Peacock, RD
    Stirling, D
    JOURNAL OF CHEMICAL RESEARCH-S, 1996, (05): : 222 - 223
  • [23] Synthesis of (2R,3S)-((1R,2S,5R)-2-isopropyl-5-methylcyclohexyl) 2-(4-bromophenyl)-3-(tert-butoxy-carbonylamino)-tetrahydrofuran-3-carboxylate and (2S,3R)-((1R,2S,5R)-2-isopropyl-5-methylcyclohexyl) 2-(4-bromophenyl)-3-(tert-butoxycarbonylamino)-tetrahydrofuran-3-carboxylate
    Grauer, Andreas
    Koenig, Burkhard
    MOLBANK, 2009, (01)
  • [24] Crystal structure and Hirshfeld surface analysis of (E)-2-[1-hydroxy-2-(pyridin-2-yl)ethyl]-4-[2-(4-methoxyphenyl)diazen-1-yl]phenol
    Faizi, Md Serajul Haque
    Sen, Pratik
    Saxena, Gyanesh Kumar
    Golenya, Irina A.
    ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS, 2019, 75 : 600 - +
  • [25] Asymmetric Conjugate Addition of Alcohols to (R)-(-)-5-[(1R,2S,5R)-Menthyloxy]-2-(5H)-Furanone
    Fu An KANG
    Hong Yi YIN and Cheng Lie YIN(Departmenl of Chemistry
    Chinese Chemical Letters, 1997, (05) : 365 - 366
  • [26] Crystal structure of ethyl 2-(1H-benz-imidazol-2-yl)-2-(4-nitrophenyl)-hydrazinylidene]acetate
    Loughzail, Mohamed
    Baouid, Abdesselam
    El Ammari, Lahcen
    Saadi, Mohamed
    Berraho, Moha
    ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS, 2015, 71 : O236 - U283
  • [27] [(2S,5R)-1-Methyl-5-phenylpyrrolidin-2-yl]diphenylmethanol
    Zukerman-Schpector, Julio
    Moro, Angelica Venturini
    Luedtke, Diogo S.
    Correia, Carlos Roque D.
    Tiekink, Edward R. T.
    ACTA CRYSTALLOGRAPHICA SECTION E-STRUCTURE REPORTS ONLINE, 2011, 67 : O1807 - U1707
  • [28] (4R*,5R*)-2-(4-Methoxyphenyl)-1,3-dioxolane-4,5-dicarboxamide
    Lv, Chun-Lei
    Chen, Jian-Hui
    Zhang, Yu-Zhe
    Lu, Ding-Qiang
    OuYang, Ping-Kai
    ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS, 2012, 68 : O558 - U1091
  • [29] 2-[2-(4-Methoxyphenyl)-4,5-diphenyl-1H-imidazol-1-yl]ethanol
    Mohamed, Shaaban Kamel
    Akkurt, Mehmet
    Marzouk, Adel A.
    Abbasov, Vagif. M.
    Gurbanov, Atash V.
    ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS, 2013, 69 : O474 - +
  • [30] (RP)-5-Methyl-2-(propan-2-yl)cyclohexyl phenyl{phenyl[(1-phenylethyl)amino]methyl}phosphinate
    Yang, Meng
    Sun, Yong-Ming
    Hou, Qing-Gao
    Zhao, Chang-Qiu
    ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS, 2012, 68 : 02328 - +
12345