Crystal structure of ethyl 6-(2-fluorophenyl)-4-hydroxy-2-sulfanylidene-4- trifluoromethy1-1,3-diazinane-5-carboxy late

被引:2
|
作者
Krishnamurthy, M. S. [1 ]
Begum, Noor Shahina [1 ]
机构
[1] Bangalore Univ, Dept Studies Chem, Cent Coll Campus, Bangalore 560001, Karnataka, India
关键词
crystal structure; dihydropyrimidine derivative; organofluorine compounds; hydrogen bonding;
D O I
10.1107/S2056989015005836
中图分类号
O7 [晶体学];
学科分类号
0702 ; 070205 ; 0703 ; 080501 ;
摘要
In the title compound, C4H14F4N2O3S, the central dihydropyrimidine ring adopts a sofa conformation with the C atom bearing the 2-fluorobenzene ring displaced by 0.596 (3) angstrom from the other five atoms. The 2-fluorobenzene ring is positioned axially and bisects the pyrimidine ring with a dihedral angle of 70.92 (8)degrees. The molecular conformation is stabilized by an intramolecular O-H center dot center dot center dot O hydrogen bond, generating an S(6) ring. The crystal structure features C-H center dot center dot center dot F, N-H center dot center dot center dot S and N-H center dot center dot center dot O hydrogen bonds, which link the molecules into a three-dimensional network.
引用
收藏
页码:O268 / U206
页数:11
相关论文
共 50 条
  • [31] 3-(2-Fluorophenyl)-6-(phenoxymethyl)-1,2,4-triazolo[3,4-b][1,3,4]thiadiazole
    Holm, Melanie
    Schollmeyer, Dieter
    Laufer, Stefan
    ACTA CRYSTALLOGRAPHICA SECTION E-STRUCTURE REPORTS ONLINE, 2008, 64 : O700 - U1265
  • [32] Crystal structure of ethyl 6-(chloromethyl)-4-(4-chlorophenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
    Bharanidharan, S.
    Saleem, H.
    Gunasekaran, B.
    Padusha, M. Syed Ali
    Suresh, M.
    ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS, 2014, 70 : O1185 - +
  • [33] Crystal structure of (Z)-3-allyl-5-(4-methylbenzylidene)-2-sulfanylidene-1,3- thiazolidin-4-one
    El Ajlaoui, Rahhal
    Rakib, El Mostapha
    Chigr, Mohammed
    Saadi, Mohamed
    El Ammari, Lahcen
    ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS, 2015, 71 : O906 - U480
  • [34] 2-(4-Fluorophenyl)-N-{4-[6-(4-fluorophenyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-yl]pyridin-2-yl}acetamide
    Selig, Roland
    Schollmeyer, Dieter
    Albrecht, Wolfgang
    Laufer, Stefan
    ACTA CRYSTALLOGRAPHICA SECTION E-STRUCTURE REPORTS ONLINE, 2010, 66 : O1132 - U601
  • [35] Crystal structure of (Z)-3-allyl-5-(4-chlorobenzylidene)-2-sulfanylidene-1,3thiazolidin- 4-one
    El Ajlaoui, Rahhal
    Rakib, El Mostapha
    Mojahidi, Souad
    Saadi, Mohamed
    El Ammari, Lahcen
    ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS, 2015, 71 : O1012 - U1035
  • [36] 1-{4-Chloro-2-[2-(2-fluorophenyl)-1,3-dithiolan-2-yl]phenyl}-2-methyl-1H-imidazole-5-carbaldehyde
    Fun, Hoong-Kun
    Chantrapromma, Suchada
    Sumangala, V.
    Nagaraja, G. K.
    Poojary, Boja
    ACTA CRYSTALLOGRAPHICA SECTION E-STRUCTURE REPORTS ONLINE, 2011, 67 : O496 - U1789
  • [37] 2-[(E)-Benzylideneamino]-N-(2-fluorophenyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
    Vasu
    Nirmala, KA
    Chopra, D
    Mohan, S
    Saravanan, J
    ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS, 2005, 61 : O236 - O238
  • [38] Ethyl 2-amino-6-(4-bromophenyl)-4-(4-fluorophenyl)cyclohexa-1,3-diene-1-carboxylate
    Narayana, B.
    Sapnakumari, M.
    Jasinski, Jerry P.
    Fraiser, Peter M.
    Yathirajan, H. S.
    ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS, 2013, 69 : O1473 - +
  • [39] 6-(1-Adamantyl)-3-(2-fluorophenyl)-1,2,4-triazolo[3,4-b][1,3,4]thiadiazole
    Khan, Mahmood-ul-Hassan
    Hameed, Shahid
    Tahir, M. Nawaz
    Bokhari, Tanveer Hussain
    Khan, Islam Ullah
    ACTA CRYSTALLOGRAPHICA SECTION E-STRUCTURE REPORTS ONLINE, 2009, 65 : O1437 - U3276
  • [40] (1RS, 6SR)-Ethyl 4-(2,4-dichlorophenyl)-6-(4-fluorophenyl)-2-oxocyclohex-3-ene-1-carboxylate
    Dutkiewicz, Grzegorz
    Narayana, B.
    Veena, K.
    Yathirajan, H. S.
    Kubicki, Maciej
    ACTA CRYSTALLOGRAPHICA SECTION E-STRUCTURE REPORTS ONLINE, 2011, 67 : O445 - U1334