An unknown solvate of 1-(2,4-dichlorobenzyl)-4-[(4-methylphenyl)sulfonyl]piperazine

被引:1
作者
Sreenivasa, S. [1 ]
ManojKumar, K. E. [1 ]
Anitha, H. C. [2 ]
Suchetan, P. A.
Palakshamurthy, B. S. [3 ]
Jayashree, Yenagi [4 ]
Tonannavar, J. [4 ]
机构
[1] Tumkur Univ, Dept Studies & Res Chem, Tumkur 572103, Karnataka, India
[2] Tumkur Univ, Ctr Adv Mat, Dept Chem, Tumkur 572103, Karnataka, India
[3] Tumkur Univ, UCS, Dept Studies & Res Chem, Tumkur 572103, Karnataka, India
[4] Karnatak Univ, Dept Phys, Dharwad 580003, Karnataka, India
来源
ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS | 2013年 / 69卷
关键词
D O I
10.1107/S160053681301012X
中图分类号
O7 [晶体学];
学科分类号
0702 ; 070205 ; 0703 ; 080501 ;
摘要
In the title compound, C18H20Cl2N2O2S, the piperazine ring adopts a chair conformation. The dihedral angle between the sulfonyl-bound benzene ring and the best-fit plane through the six non-H atoms of the piperazine ring is 72.22 (12)degrees; those between the di-chloro-benzene ring and the sulfonyl and piperazine rings are 2.44 (13) and 74.16 (2)degrees, respectively. In the crystal, mol-ecules are connected through weak C-H center dot center dot center dot O inter-actions into a hexa-meric unit generating a R-6(6)(60) motif in the ab plane. The mol-ecules are also connected into C(4) chains through weak C-H center dot center dot center dot N inter-actions. The solvent used to grow the crystal was a mixture of di-chloro-methane and methanol, but the resulting electron density was uninter-pretable. The solvent contribution to the scattering was removed with the SQUEEZE routine in PLATON [Spek (2009 ?). Acta Cryst. D65, 148-155]. The formula mass and unit-cell characteristics do not take into account the disordered solvent.
引用
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页码:O782 / +
页数:9
相关论文
共 6 条
  • [1] Bruker, 2009, APEX2 SAINT PLUS XPR
  • [2] Mercury CSD 2.0 -: new features for the visualization and investigation of crystal structures
    Macrae, Clare F.
    Bruno, Ian J.
    Chisholm, James A.
    Edgington, Paul R.
    McCabe, Patrick
    Pidcock, Elna
    Rodriguez-Monge, Lucia
    Taylor, Robin
    van de Streek, Jacco
    Wood, Peter A.
    [J]. JOURNAL OF APPLIED CRYSTALLOGRAPHY, 2008, 41 : 466 - 470
  • [3] A short history of SHELX
    Sheldrick, George M.
    [J]. ACTA CRYSTALLOGRAPHICA A-FOUNDATION AND ADVANCES, 2008, 64 : 112 - 122
  • [4] Structure validation in chemical crystallography
    Spek, Anthony L.
    [J]. ACTA CRYSTALLOGRAPHICA SECTION D-STRUCTURAL BIOLOGY, 2009, 65 : 148 - 155
  • [5] 1-Tosyl-4-[2-(trifluoromethyl)benzyl]-piperazine
    Sreenivasa, S.
    Anitha, H. C.
    ManojKumar, K. E.
    Tonannavar, J.
    Jayashree, Yenagi
    Suchetan, P. A.
    Palakshamurthy, B. S.
    [J]. ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS, 2013, 69 : O239 - +
  • [6] (2,3-Difluorophenyl)(4-tosylpiperazin-1yl)methanone
    Sreenivasa, S.
    ManojKumar, K. E.
    Suchetan, P. A.
    Tonannavar, J.
    Chavan, Yashshwita
    Palakshamurthy, B. S.
    [J]. ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS, 2013, 69 : O185 - +