3,5-Bis(4-chlorobenzylidene)-1-methylpiperidin-4-one

被引：5
作者：
Nesterov, Volodymyr V. [1 ]
Sarkisov, Sergey S. [2 ]
Shulaev, Vladimir [3 ]
Nesterov, Vladimir N. [4 ]
机构：
[1] New Mexico Highlands Univ, Dept Nat Sci, Las Vegas, NM 87701 USA
[2] SSS Opt Technol LLC, Huntsville, AL 35816 USA
[3] Univ N Texas, Dept Biol Sci, Denton, TX 76203 USA
[4] Univ N Texas, Dept Chem, Denton, TX 76203 USA
来源：
ACTA CRYSTALLOGRAPHICA SECTION E-STRUCTURE REPORTS ONLINE | 2011年 / 67卷
基金：
美国国家卫生研究院;
关键词：
PROSPECTIVE BIOPHOTONIC MATERIAL;
D O I：
10.1107/S1600536811006994
中图分类号：
O7 [晶体学];
学科分类号：
0702 ; 070205 ; 0703 ; 080501 ;
摘要：
In the title molecule, C20H17Cl2NO, the central heterocyclic ring adopts a flattened boat conformation. The dihedral angles between the planar part of this central heterocyclic ring [maximum deviation = 0.004 (1) A] and the two almost planar side-chain fragments [maximum deviations = 0.015 (1) and 0.019 (1) A], that include the aromatic ring and bridging atoms, are 18.1 (1) and 18.0 (1)degrees. In the crystal, pairs of weak intermolecular C-H...O hydrogen bonds link molecules into inversion dimers that form stacks along the a axis. The structure is further stabilized by weak intermolecular C-H...pi interactions involving the benzene rings.
引用
收藏
页码：O760 / U1309
页数：11
相关论文
共 15 条
  • [1] [Anonymous], 2001, SADABS
  • [2] Bruker, 2007, APEX2 SAINT
  • [3] Desiraju G., 1999, WEAK HYDROGEN BOND
  • [4] A conformational and structure-activity relationship study of cytotoxic 3,5-bis(arylidene)-4-piperidones and related N-acryloyl analogues
    Dimmock, JR
    Padmanilayam, MP
    Puthucode, RN
    Nazarali, AJ
    Motaganahalli, NL
    Zello, GA
    Quail, JW
    Oloo, EO
    Kraatz, HB
    Prisciak, JS
    Allen, TM
    Santos, CL
    Balzarini, J
    De Clercq, E
    Manavathu, EK
    [J]. JOURNAL OF MEDICINAL CHEMISTRY, 2001, 44 (04) : 586 - 593
  • [5] STRUCTURES OF 3,5-BIS(BENZYLIDENE)-4-PIPERIDONE HYDROCHLORIDE(I) AND ITS N-METHYL ANALOG(II)
    JIA, ZC
    QUAIL, JW
    ARORA, VK
    DIMMOCK, JR
    [J]. ACTA CRYSTALLOGRAPHICA SECTION C-CRYSTAL STRUCTURE COMMUNICATIONS, 1988, 44 : 2114 - 2117
  • [6] STRUCTURES OF 2,6-BIS(BENZYLIDENE)CYCLOHEXANONE(III) AND 3,5-BIS(4-DIMETHYLAMINOBENZYLIDENE)-1-METHYL-4-PIPERIDONE(IV)
    JIA, ZC
    QUAIL, JW
    ARORA, VK
    DIMMOCK, JR
    [J]. ACTA CRYSTALLOGRAPHICA SECTION C-CRYSTAL STRUCTURE COMMUNICATIONS, 1989, 45 : 285 - 289
  • [7] 3,5-bis{3-[4-(dimethylamino)phenyl]-prop-2-enylidene}-1-methyl-4-piperidone and 3,5-bis[3-(4-methoxy-phenyl)prop-2-enylidene]-1-methly-4-piperidone: potential biophotonic materials
    Nesterov, Vladimir N.
    Zakharov, Lev N.
    Sarkisov, Sergey S.
    Curley, Michael J.
    Urbas, Augustine
    [J]. ACTA CRYSTALLOGRAPHICA SECTION C-CRYSTAL STRUCTURE COMMUNICATIONS, 2008, 64 (o73-o75) : O73 - O75
  • [8] 3,5-Bis[4-(diethylamino)benzylidene]-1,1-dimethyl-4-oxopiperidinium iodide: a prospective biophotonic material
    Nesterov, Vladimir N.
    Sarkisov, Sergey S.
    Curley, Michael J.
    Urbas, Augustine
    Ruiz, Tania
    [J]. ACTA CRYSTALLOGRAPHICA SECTION E-STRUCTURE REPORTS ONLINE, 2007, 63 : O4784 - U5749
  • [9] 3,5-Bis[4-(dimethylamino) benzylidene]-1-propyl-4-piperidone: a prospective biophotonic material
    Nesterov, Vladimir N.
    Sarkisov, Sergey S.
    Curley, Michael J.
    Urbas, Augustine
    [J]. ACTA CRYSTALLOGRAPHICA SECTION E-STRUCTURE REPORTS ONLINE, 2007, 63 : O3043 - U3474
  • [10] An orthorhombic polymorph of 3,5-bis[4-(dimethylamino)benzylidene]-1-methyl-4-piperidone
    Nesterov, Vladimir N.
    Sarkisov, Sergey S.
    Curley, Michael J.
    Urbas, Augustine
    [J]. ACTA CRYSTALLOGRAPHICA SECTION E-STRUCTURE REPORTS ONLINE, 2007, 63 : O1785 - O1787
12