Crystal structure of bis[4-(dimethylamino)pyridinium] bis(2-nitrobenzoate) trihydrate

被引:4
作者
Sivakumar, N. [1 ]
Muralidharan, S. [2 ]
Chakkaravarthi, G. [3 ]
Velmurugan, D. [4 ]
Anbalagan, G. [1 ]
机构
[1] Presidency Coll, Dept Phys, Madras 600005, Tamil Nadu, India
[2] Anna Univ, Dept Phys, Madras 600025, Tamil Nadu, India
[3] CPCL Polytech Coll, Dept Phys, Madras 600068, Tamil Nadu, India
[4] Univ Madras, Ctr Adv Study Crystallog & Biophys, Madras 600025, Tamil Nadu, India
关键词
crystal structure; 4-dimethylaminopyrdidine; 2-nitrobenzoic acid; salt; hydrogen bonds; pi-pi interactions; C-H center dot center dot center dot pi interactions;
D O I
10.1107/S1600536814020583
中图分类号
O7 [晶体学];
学科分类号
0702 ; 070205 ; 0703 ; 080501 ;
摘要
The title salt, 2C7H11N2+ 2C7H4NO4- 3H2O, crystallized with two anions and two cations in the asymmetric unit, together with three water molecules. Both 4-dimethylaminopyridinium cations are protonated at their pyridine N atoms with the plane of the N(CH3)2 hetero atoms inclined to the pyridine ring by 4.5(2) and 1.4(2)°. In the 2-nitrobenzoate anions, the carboxyl and nitro groups are inclined to their respective benzene rings by 77.1(3) and 20.0(3)°, and 75.8(2) and 20.9(3)°. In the crystal, the anions are linked via O-H⋯O hydrogen bonds involving the water molecules, forming chains along [100]. The cations are linked to these chains by N-H⋯O hydrogen bonds. The chains are linked via C-H⋯O hydrogen bonds and C-H⋯π and π-π interactions [inter-centroid distances range from 3.617(1) to 3.851(1)Å], forming a three-dimensional structure.
引用
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页码:221 / +
页数:11
相关论文
共 12 条
[1]   The Cambridge Structural Database: a quarter of a million crystal structures and rising [J].
Allen, FH .
ACTA CRYSTALLOGRAPHICA SECTION B-STRUCTURAL SCIENCE, 2002, 58 (3 PART 1) :380-388
[2]   Novel purine nitrile derived inhibitors of the cysteine protease cathepsin K [J].
Altmann, E ;
Cowan-Jacob, SW ;
Missbach, M .
JOURNAL OF MEDICINAL CHEMISTRY, 2004, 47 (24) :5833-5836
[3]   2-Amino-6-methylpyridinium 2,2,2-trichloroacetate [J].
Babu, K. Syed Suresh ;
Peramaiyan, G. ;
NizamMohideen, M. ;
Mohan, R. .
ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS, 2014, 70 :O391-+
[4]   4-ARYLDIHYDROPYRIDINES, A NEW CLASS OF HIGHLY-ACTIVE CALCIUM-ANTAGONISTS [J].
BOSSERT, F ;
MEYER, H ;
WEHINGER, E .
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION IN ENGLISH, 1981, 20 (09) :762-769
[5]  
Bruker, 2004, APEX2 SAINT
[6]  
Hosomi H, 2000, ACTA CRYSTALLOGR C, V56, pE149
[7]  
LAHAUS G, Patent No. 6906036
[8]   2-Amino-5-nitropyridinium hydrogen oxalate [J].
Rajkumar, M. Ambrose ;
Xavier, S. Stanly John ;
Anbarasu, S. ;
Devarajan, Prem Anand ;
NizamMohideen, M. .
ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS, 2014, 70 :O473-+
[9]  
Sheldrick G.M., 1996, SADABS VERSION 2008
[10]   A short history of SHELX [J].
Sheldrick, George M. .
ACTA CRYSTALLOGRAPHICA A-FOUNDATION AND ADVANCES, 2008, 64 :112-122