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

页码：O760 / U1309

页数：11

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 [J].

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 .

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) [J].

JIA, ZC ;

QUAIL, JW ;

ARORA, VK ;

DIMMOCK, JR .

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) [J].

JIA, ZC ;

QUAIL, JW ;

ARORA, VK ;

DIMMOCK, JR .

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 [J].

Nesterov, Vladimir N. ;

Zakharov, Lev N. ;

Sarkisov, Sergey S. ;

Curley, Michael J. ;

Urbas, Augustine .

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 [J].

Nesterov, Vladimir N. ;

Sarkisov, Sergey S. ;

Curley, Michael J. ;

Urbas, Augustine ;

Ruiz, Tania .

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 [J].

Nesterov, Vladimir N. ;

Sarkisov, Sergey S. ;

Curley, Michael J. ;

Urbas, Augustine .

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 [J].

Nesterov, Vladimir N. ;

Sarkisov, Sergey S. ;

Curley, Michael J. ;

Urbas, Augustine .

ACTA CRYSTALLOGRAPHICA SECTION E-STRUCTURE REPORTS ONLINE, 2007, 63 :O1785-O1787

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