4-(4-{[(2-Phenylquinazolin-4-yl)oxy]methyl}-1H-1,2,3-triazol-1-yl)butan-1-ol hemihydrate

被引:2
|
作者
Ouahrouch, Abdelaaziz [2 ]
Lazrek, Hassan B. [3 ]
Taourirte, Moha [2 ]
El Azhari, Mohamed [1 ]
Saadi, Mohamed [4 ]
El Ammari, Lahcen [4 ]
机构
[1] Fac Sci & Tech Gueliz, Lab Matiere Condensee & Nanostruct, Marrakech, Morocco
[2] Fac Sci & Tech Gueliz, Lab Chim Bioorgan & Macromol, Marrakech, Morocco
[3] Fac Sci Semlalia, Unite Chim Biomol & Med, Marrakech, Morocco
[4] Univ Mohammed V Agdal, Lab Chim Solide Appl, Fac Sci, Rabat, Morocco
关键词
CLICK CHEMISTRY; INHIBITORS; ANALOGS; DESIGN;
D O I
10.1107/S1600536811027280
中图分类号
O7 [晶体学];
学科分类号
0702 ; 070205 ; 0703 ; 080501 ;
摘要
The title compound, C21H21N5O2 center dot 0.5H(2)O, has two fused six-membered rings linked to a benzene ring and to a triazole ring, which is connected to a butanol group. The quinazoline ring forms a dihedral angle of 7.88 (8)degrees with the benzene ring, while the triazole ring is approximately perpendicular to the benzene ring and to the quinazoline system, making dihedral angles of 84.38 (10) and 76.55 (8)degrees, respectively. The stereochemical arrangement of the butanol chain, with a C-C-CC torsion angle of 178.34 (19)degrees, corresponds to an anti-periplanar conformation. However the position of the -OH group is split into two very close [O-O = 0.810(3) angstrom] positions of equal occupancy. The crystal structure features O-H center dot center dot center dot N and O-H center dot center dot center dot O hydrogen bonds, building an infinite three-dimensional network. The water molecule is located on a half-filled general position.
引用
收藏
页码:O2029 / U444
页数:12
相关论文
共 50 条
  • [31] 4-(4-Acetyl-5-methyl-1H-1,2,3-triazol-1-yl)benzonitrile: crystal structure and Hirshfeld surface analysis
    Zukerman-Schpector, Julio
    Dias, Cassio da S.
    Schwab, Ricardo S.
    Jotani, Mukesh M.
    Tiekink, Edward R. T.
    ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS, 2018, 74 : 1195 - +
  • [32] 4-(1-Methylethyl)-N-((E)-4-{[1-(prop-2-en-1-yl)-1H-1,2,3-triazol-4-yl]methoxy}-benzylidene)aniline
    Akkurt, Mehmet
    Jarrahpour, Aliasghar
    Chermahini, Mehdi Mohammadi
    Shiri, Pezhman
    Tahir, Muhammad Nawaz
    ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS, 2013, 69 : O247 - +
  • [33] 4-Substituted 4-(1H-1,2,3-triazol-1-yl)piperidine: Novel C7 moieties of fluoroquinolones as antibacterial agents
    Huang, Xiaoguang
    Zhang, Aiqin
    Chen, Dongliang
    Jia, Zhenhua
    Li, Xingshu
    BIOORGANIC & MEDICINAL CHEMISTRY LETTERS, 2010, 20 (09) : 2859 - 2863
  • [34] A tandem of the Cornforth rearrangements of 4-(1,2,3-triazol-1-yl)iminomethyl-1,2,3-thiadiazole
    T. V. Glukhareva
    Yu. Yu. Morzherin
    E. A. Savel"eva
    Yu. A. Rozin
    A. V. Tkachev
    V. A. Bakulev
    Russian Chemical Bulletin, 2001, 50 : 268 - 271
  • [35] Synthesis of new 4-[4-(4-methoxyphenyl)-5-(2-phenylquinazolin-4-yl)-1,3-thiazol-2-yl]morpholine and N4(-[5-(4-methoxyphenyl)-1,3-oxathiol-2-yliden]-(2-phenylquinazolin-4-yl)-amine
    Fathalla, W
    Marek, J
    Pazdera, P
    HETEROCYCLIC COMMUNICATIONS, 2002, 8 (02) : 157 - 160
  • [36] Design, synthesis, and biological evaluation of 5-(4-(pyridin-4-yl)-1H-1,2,3-triazol-1-yl)benzonitrile derivatives as xanthine oxidase inhibitors
    Zhang, Ting-jian
    Li, Song-ye
    Zhang, Yi
    Wu, Qing-xia
    Meng, Fan-hao
    CHEMICAL BIOLOGY & DRUG DESIGN, 2018, 91 (02) : 526 - 533
  • [37] A tandem of the Cornforth rearrangements of 4-(1,2,3-triazol-1-yl)iminomethyl-1,2,3-thiadiazole
    Glukhareva, TV
    Morzherin, YY
    Savel'eva, EA
    Rozin, YA
    Tkachev, AV
    Bakulev, VA
    RUSSIAN CHEMICAL BULLETIN, 2001, 50 (02) : 268 - 271
  • [38] Crystal structure and Hirshfeld surface analysis of ethyl 2-{4-[(3-methyl-2-oxo-1,2-dihydroquinoxalin-1-yl)methyl]-1H-1,2,3-triazol-1-yl}acetate
    Abad, Nadeem
    Ramli, Youssef
    Hokelek, Tuncer
    Sebbar, Nada Kheira
    Mague, Joel T.
    Essassi, El Mokhtar
    ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS, 2018, 74 : 1648 - +
  • [39] Crystal structure of 4-{[(1H-1,2,4-triazol-1-yl)methyl]sulfanyl}phenol
    Zhang, Yong-Le
    Zhang, Chuang
    Guo, Wei
    Wang, Jing
    ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS, 2014, 70 : O1106 - +
  • [40] Crystal structure of methyl 2-((4-((2-nitrophenoxy)methyl)-1H-1,2,3-triazol-1-yl)methyl) benzoate, C18H16N4O5
    Wang, Zhe
    Hong, Wei
    Wang, Hao
    ZEITSCHRIFT FUR KRISTALLOGRAPHIE-NEW CRYSTAL STRUCTURES, 2018, 233 (05): : 831 - 832