1-(3,5-Diethyl-1H-pyrazol-1-yl)-3-phenylisoquinoline

被引:0
|
作者
Khan, F. Nawaz [2 ]
Manivel, P. [2 ]
Roopan, S. Mohana [2 ]
Hathwar, Venkatesha R. [3 ]
Akkurt, Mehmet [1 ]
机构
[1] Erciyes Univ, Dept Phys, Fac Arts & Sci, TR-38039 Kayseri, Turkey
[2] VIT Univ, Organ & Med Chem Res Lab, Div Organ Chem, Sch Adv Sci, Vellore 632014, Tamil Nadu, India
[3] Indian Inst Sci, Solid State & Struct Chem Unit, Bangalore 560012, Karnataka, India
关键词
CRYSTAL-STRUCTURE;
D O I
10.1107/S1600536810028059
中图分类号
O7 [晶体学];
学科分类号
0702 ; 070205 ; 0703 ; 080501 ;
摘要
In the title molecule, C22H21N3, the isoquinoline ring is almost planar [maximum deviation = 0.046 (1) A] and makes dihedral angles of 52.01 (4) and 14.61 (4)degrees with the pyrazole and phenyl rings, respectively. The phenyl ring and the pyrazole ring are twisted by 44.20 (6)degrees with respect to each other. The terminal C atoms of both of the ethyl groups attached to the pyrazole ring are disordered over two sites with occupancy ratios of 0.164 (7):0.836 (7) and 0.447 (16):0.553 (16). A weak intramolecular C-H...N contact may influence the molecular conformation. The crystal structure is stabilized by C-H...pi contacts involving the phenyl and pyrazole rings, and by pi-pi stacking interactions involving the pyridine and benzene rings [centroid-centroid distance = 3.5972 (10) A].
引用
收藏
页码:O2063 / U1614
页数:14
相关论文
共 50 条
  • [41] Crystal structure of bis[1-{(3,5-dimethyl-1H-pyrazol-1-yl)methyl}-3,5-dimethyl-1H-pyrazol-2-ium] hexachlorouranate(IV): [H2C(3,5-Me2pz)(3,5-Me2pzH)]2[UCl6]
    Carretas, J. M.
    Cui, J.
    Cruz, A.
    Santos, I. C.
    Marcalo, J.
    JOURNAL OF STRUCTURAL CHEMISTRY, 2015, 56 (01) : 181 - 185
  • [42] 3-Chloro-6-(3,5-dimethyl-1H-pyrazol-1-yl)picolinic acid-triphenylphosphine oxide (1/1)
    Hu, Fei-Long
    Huang, Zhong-Jing
    Zhang, Shan-Shan
    Zhuang, Yue
    Luo, Wei-Qiang
    ACTA CRYSTALLOGRAPHICA SECTION E-STRUCTURE REPORTS ONLINE, 2008, 64 : O1427 - U1691
  • [43] (1Z,2E)-1-(3,5-dimethyl-1H-pyrazol-1-yl)ethane-1,2-dione dioxime
    Sarikavakli, Nursabah
    Sahin, Ertan
    Hokelek, Tuncer
    ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS, 2007, 63 : O3601 - U4350
  • [44] 3-[1-(4-Sulfamoylphenyl)-5-p-tolyl-1H-pyrazol-3-yl]propanoic acid and 3-[5-(4-bromophenyl)-1-(4-sulfamoylphenyl)-1H-pyrazol-3-yl]propanoic acid-dichloromethane-diethyl ether-water (2/0.72/1/1)
    Kumarasinghe, Isuru R.
    Hruby, Victor J.
    Nichol, Gary S.
    ACTA CRYSTALLOGRAPHICA SECTION C-STRUCTURAL CHEMISTRY, 2009, 65 : O296 - O299
  • [45] A tris(pyrazol-1-yl)methane bearing carboxylic acid groups at position 4:{1-[bis(4-carboxy-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-3,5-dimethyl-1H-pyrazole-4-carboxylato}sodium dihydrate
    Alkorta, Ibon
    Elguero, Jose
    Angeles Garcia, Maria
    Lopez, Concepcion
    Claramunt, Rosa M.
    Andrade, Gabriel A.
    Yap, Glenn P. A.
    ACTA CRYSTALLOGRAPHICA SECTION C-STRUCTURAL CHEMISTRY, 2013, 69 : 972 - 976
  • [46] A novel dinuclear MoVI complex with tris(3,5-dimethyl-1H-pyrazol-1-yl)methane
    Gago, Sandra
    Gomes, Ana C.
    Cunha-Silva, Luis
    Pillinger, Martyn
    Goncalves, Isabel S.
    Almeida Paz, Filipe A.
    ACTA CRYSTALLOGRAPHICA SECTION C-CRYSTAL STRUCTURE COMMUNICATIONS, 2012, 68 : M73 - M75
  • [47] Synthesis and structure of (bis(3,5-dimethyl-1H-pyrazol-1-yl)methane)diiodocobalt(II)
    Bushuev, M. B.
    Virovets, A. V.
    Peresypkina, E. V.
    Naumov, D. Yu.
    Potapov, A. S.
    Khlebnikov, A. I.
    Vasilevsky, S. F.
    Lavrenova, L. G.
    JOURNAL OF STRUCTURAL CHEMISTRY, 2005, 46 (06) : 1099 - 1103
  • [48] Synthesis and structure of (bis(3,5-dimethyl-1H-pyrazol-1-yl)methane)diiodocobalt(II)
    M. B. Bushuev
    A. V. Virovets
    E. V. Peresypkina
    D. Yu. Naumov
    A. S. Potapov
    A. I. Khlebnikov
    S. F. Vasilevsky
    L. G. Lavrenova
    Journal of Structural Chemistry, 2005, 46 : 1099 - 1103
  • [49] 2-[1-(4,6-dimethoxypyrimidin-2-yl)-1H-pyrazol-3-yl]phenol
    Li, Yuan-Xiang
    Wang, Ya-Zhou
    ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS, 2007, 63 : O873 - O874
  • [50] 1-[3-(4-Chlorophenyl)isoquinolin-1-yl]-3,5-diphenyl-1H-pyrazole
    Khan, F. Nawaz
    Manivel, P.
    Krishnakumar, V.
    Hathwar, Venkatesha R.
    Ng, Seik Weng
    ACTA CRYSTALLOGRAPHICA SECTION E-STRUCTURE REPORTS ONLINE, 2010, 66 : O369 - U2547