3-(2-Chloroethyl)-2-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidinium 2,4,6-trinitrophenolate

被引:1
|
作者
Jasinski, Jerry P. [2 ]
Butcher, Ray J. [1 ]
Al-Arique, Q. N. M. Hakim [3 ]
Yathirajan, H. S. [3 ]
Narayana, B. [4 ]
机构
[1] Howard Univ, Dept Chem, Washington, DC 20059 USA
[2] Keene State Coll, Dept Chem, Keene, NH 03435 USA
[3] Univ Mysore, Dept Studies Chem, Mysore 570006, Karnataka, India
[4] Mangalore Univ, Dept Studies Chem, Mangalagangothri 574199, Karnataka, India
关键词
D O I
10.1107/S1600536809032693
中图分类号
O7 [晶体学];
学科分类号
0702 ; 070205 ; 0703 ; 080501 ;
摘要
In the cation of the title salt, C11H12ClN2O+center dot C6H2N3O7-, the chloroethyl side chain is in a syn conformation, nearly orthogonal to the pyrimidine ring, with a dihedral angle of 78.9 (6)degrees between the plane of the chloroethyl chain and the pyrimidine ring. The dihedral angle between the fused rings is 4.3 (3)degrees. In the picrate anion, the benzene mean plane makes dihedral angles of 26.7 (1), 33.6 (2) and 5.3 (6)degrees with the two o-NO2 groups and the p-NO2 group, respectively. Extensive hydrogen-bond interactions occur between the cation-anion pair which help to establish the crystal packing. A three-center O center dot center dot center dot(H,H)-(N,C) acceptor hydrogen bond is observed between the phenolate O atom of the picrate anion and the amine and methyl groups of the cation. An N-H center dot center dot center dot(O,O) bifurcated hydrogen bond is observed between the amine group and two O atoms from the phenolate and o-NO2 groups.
引用
收藏
页码:O2201 / U2434
页数:12
相关论文
共 50 条
  • [1] 3-(2-Chloroethyl)-2-methyl-4H-pyrido[1,2-a]pyrimidin-4-one
    Jasinski, Jerry P.
    Butcher, Ray J.
    Al-Arique, Q. N. M. Hakim
    Yathirajan, H. S.
    Narayana, B.
    [J]. ACTA CRYSTALLOGRAPHICA SECTION E-STRUCTURE REPORTS ONLINE, 2009, 65 : O1987 - U4096
  • [2] 3-(2-chloroethyl)-2-methyl-4-oxo-6,7,8,9-tetrahydro-4H-pyrido[1,2-a] pyrimidin-1-ium chloride
    Ravikumar, Krishnan
    Sridhar, Balasubramanian
    [J]. ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS, 2006, 62 : O3730 - O3731
  • [3] Morpholinium 2,4,6-trinitrophenolate
    Vembu, Nagarajan
    Fronczek, Frank R.
    [J]. ACTA CRYSTALLOGRAPHICA SECTION E-STRUCTURE REPORTS ONLINE, 2009, 65 : O156 - U2629
  • [4] Benzimidazolium 2,4,6-trinitrophenolate
    Song, Wen-Dong
    Fan, Run-Zhen
    Wu, Hong-Mian
    [J]. ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS, 2007, 63 : o1385 - o1386
  • [5] Hexamethylenetetraminium 2,4,6-trinitrophenolate
    Usman, A
    Chantrapromma, S
    Fun, HK
    Poh, BL
    Karalai, C
    [J]. ACTA CRYSTALLOGRAPHICA SECTION C-STRUCTURAL CHEMISTRY, 2002, 58 : O46 - O47
  • [6] 1,3,7-Trimethylxanthenium 2,4,6-trinitrophenolate
    Chandramohan, A.
    Gayathri, D.
    Velmurugan, D.
    Ravikumar, K.
    Kandhaswamy, M. A.
    [J]. ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS, 2007, 63 : O2495 - O2496
  • [7] Synthesis of 3-(2-chloroethyl)-2-methyl-6,7,8,9-tetrahydro-4H-pyrido[1,2-a] pyrimidin-4-one Derivatives as Antibacterial Agents
    Krishnamurthy, Byregowda
    Vinaya, Kambappa
    Rakshith, Devraj
    Prasanna, Doddakunche Shivaramu
    Rangappa, Kanchugarakoppal Subbegowda
    [J]. MEDICINAL CHEMISTRY, 2013, 9 (02) : 240 - 248
  • [8] 2-Methoxyanilinium 3-hydroxy-2,4,6-trinitrophenolate
    Kalaivani, Doraisamyraja
    Malarvizhi, Rangasamy
    Thanigaimani, Kaliyaperumal
    Muthiah, Packianathan Thomas
    [J]. ACTA CRYSTALLOGRAPHICA SECTION E-STRUCTURE REPORTS ONLINE, 2011, 67 : O686 - U2324
  • [9] 2-(4-Aminophenyl)-1-phenyldiazenium 2,4,6-trinitrophenolate
    Smith, Graham
    Wermuth, Urs D.
    White, Jonathan M.
    [J]. ACTA CRYSTALLOGRAPHICA SECTION E-STRUCTURE REPORTS ONLINE, 2011, 67 : O878 - U550
  • [10] Polymeric (ethylenediamine)silver(I) 2,4,6-trinitrophenolate
    Zhu, HL
    Wang, XJ
    Meng, FJ
    Liu, XY
    [J]. ACTA CRYSTALLOGRAPHICA SECTION E-STRUCTURE REPORTS ONLINE, 2003, 59 : M698 - M699