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
来源：
ACTA CRYSTALLOGRAPHICA SECTION E-STRUCTURE REPORTS ONLINE | 2010年 / 66卷
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
  • [21] 3-Chloro-6-(3,5-dimethyl-1H-pyrazol-1-yl)picolinic acid
    Kai, Zhao
    Yin, Xian-Hong
    Zhang, Shan-Shan
    Zhuang, Yue
    Hu, Fei-Long
    ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS, 2007, 63 : O4801 - U5918
  • [22] Crystal structure of (3,5-dibromo2-hydroxyphenyl){1-[(naphthalen-1-yl)carbonyl]-1H-pyrazol-4-yl} methanone
    Ishikawa, Yoshinobu
    Motohashi, Yuya
    ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS, 2014, 70 : O1033 - +
  • [23] Bis[6-(3,5-dimethyl-1H-pyrazol-1-yl)picolinato]nickel(II)-aqua[6-(3,5-dimethyl-1H-pyrazol-1-yl)picolinic acid]dithiocyanatonickel(II) (1/1)
    Zhao, Kai
    Yin, Xian-Hong
    Lin, Cui-Wu
    Meng, Dong-Xu
    Wu, Fei-yan
    ACTA CRYSTALLOGRAPHICA SECTION E-STRUCTURE REPORTS ONLINE, 2008, 64 : M84 - U821
  • [24] 1,2-Bis[(3,5-diphenyl-1H-pyrazol-1-yl)-methyl]benzene
    Spencer, Lara C.
    Guzei, Ilia A.
    Segapelo, Tebogo V.
    Darkwa, James
    ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS, 2012, 68 : 02584 - +
  • [25] Crystal structure of 1-(1,3-dimethyl-4-nitro-1H-pyrazol-5-yl)-3,5-diphenyl-1H-pyrazole and molecular docking studies of 1-(1,3-dimethyl-4-nitro-1H-pyrazol-5-yl)-3,5-diphenyl-1H-pyrazole and 5-methyl-1-(1,3-dimethyl-4-nitro-1H-pyrazol-5-yl)-3-phenyl-1H-pyrazole towards tyrosine kinases
    Abu-Safieh, Kayed
    El-Barghouthi, Musa, I
    Khanfar, Monther A.
    Salameh, Bader A.
    Al-Aqrabawi, Islam S.
    Al Hourani, Baker Jawabrah
    Ali, Basem F.
    JOURNAL OF MOLECULAR STRUCTURE, 2021, 1237
  • [26] Toxicological evaluation of two novel bitter modifying flavour compounds: 3-(1-((3,5-dimethylisoxazol-4-yl)methyl)-1H-pyrazol-4-yl)-1-(3-hydroxybenzyl)imidazolidine-2,4-dione and 3-(1-((3,5-dimethylisoxazol-4-yl)methyl)-1H-pyrazol-4-yl)-1-(3-hydroxybenzyl)-5,5-dimethylimidazolidine-2,4-dione
    Karanewsky, Donald S.
    Arthur, Amy J.
    Liu, Hanghui
    Chi, Bert
    Ida, Lily
    Markison, Stacy
    TOXICOLOGY REPORTS, 2016, 3 : 310 - 327
  • [27] Dichloro[(3,5-dimethyl-1H-pyrazol-1-yl)methane]zinc(II) and di-μ-chloro-bis{chloro[(3,5-dimethyl-1H-pyrazol-1-yl)methane]cadmium(II)}
    Cheng, ML
    Li, HX
    Zang, Y
    Lang, JP
    ACTA CRYSTALLOGRAPHICA SECTION C-STRUCTURAL CHEMISTRY, 2006, 62 (02): : M74 - M77
  • [28] Antifungal and antimycobacterial activity of 1-(3,5-diaryl-4,5dihydro-1H-pyrazol-4-yl)-1H-imidazole derivatives
    Zampieri, Daniele
    Mamolo, Maria Grazia
    Laurini, Erik
    Scialino, Giuditta
    Banfi, Elena
    Vio, Luciano
    BIOORGANIC & MEDICINAL CHEMISTRY, 2008, 16 (08) : 4516 - 4522
  • [29] 2-(3,5-Dimethyl-1H-pyrazol-1-yl)-2hydroxyimino-N'-[1-(pyridin-2-yl)ethylidene]acetohydrazide
    Plutenko, Maxym O.
    Lampeka, Rostislav D.
    Haukka, Matti
    Nordlander, Ebbe
    ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS, 2012, 68 : O3381 - +
  • [30] 3,5-DIPHENYL-1H-PYRAZOLE DERIVATIVES .4. N,N-DISUBSTITUTED 3-(3,5-DIPHENYL-1H-PYRAZOL-1-YL)PROPANAMIDES AND 3-(3,5-DIPHENYL-1H-PYRAZOL-1-YL)PROPANAMINES WITH SEDATIVE, PLATELET ANTIAGGREGATING AND LOCAL-ANESTHETIC ACTIVITIES
    BONDAVALLI, F
    BRUNO, O
    RANISE, A
    SCHENONE, P
    LOSASSO, C
    DONNOLI, D
    STELLA, L
    MARMO, E
    FARMACO, 1990, 45 (02): : 137 - 146
12345