Crystal structure of 3-mesityl-1-Rpyridin2-yl)methyIJ-3,4,5,6-tetrahydropyrim-idin-l-ium bromide monohydrate

被引：1

作者：

Quo, Qi ^{[1
]}

Yang, Liangru ^{[1
]}

Mao, Pu ^{[1
]}

Xiao, Yongmei ^{[1
]}

Yuan, Jinwei ^{[1
]}

机构：

[1] Henan Univ Technol, Coll Chem & Chem Engn, Zhengzhou 450001, Peoples R China

来源：

ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS | 2015年 / 71卷

关键词：

crystal structure; NHC precursor; tetrahydropyrimidinium; hydrogen bonding;

D O I：

10.1107/S2056989015003989

中图分类号：

O7 [晶体学];

学科分类号：

0702 ; 070205 ; 0703 ; 080501 ;

摘要：

In the title hydrated salt, C19H24N3+-Br-(HO)-O-2, the values of the N-C bond lengths within the tetrahydropyrimidinium ring indicate delocalization of the N=C double bond. In the cation, the dihedral angle formed by the pyridine and benzene rings is 14.97 (12)degrees. In the crystal, ions and water molecules are linked by O-H center dot center dot center dot Br, O-H center dot center dot center dot N, C-H center dot center dot center dot Br and C-H center dot center dot center dot O hydrogen bonds into chains running parallel to the b axis.

引用

页码：O224 / U221

页数：8

共 7 条

[1]

Agilent, 2011, CRYSALIS PRO

[2] OLEX2: a complete structure solution, refinement and analysis program [J].

Dolomanov, Oleg V. ;

Bourhis, Luc J. ;

Gildea, Richard J. ;

Howard, Judith A. K. ;

Puschmann, Horst .

JOURNAL OF APPLIED CRYSTALLOGRAPHY, 2009, 42 :339-341

[3] Pd-PEPPSI-Type Expanded Ring N-Heterocyclic Carbene Complexes: Synthesis, Characterization, and Catalytic Activity in Suzuki-Miyaura Cross Coupling [J].

Dunsford, Jay J. ;

Cavell, Kingsley J. .

ORGANOMETALLICS, 2014, 33 (11) :2902-2905

[4] An overview of N-heterocyclic carbenes [J].

Hopkinson, Matthew N. ;

Richter, Christian ;

Schedler, Michael ;

Glorius, Frank .

NATURE, 2014, 510 (7506) :485-496

[5] Suzuki cross-coupling catalyzed by palladium (II) complexes bearing 1-aryl-3,4,5,6-tetrahydropyrimidine ligands [J].

Mao, Pu ;

Yang, Liangru ;

Xiao, Yongmei ;

Yuan, Jinwei ;

Liu, Xiujun ;

Song, Maoping .

JOURNAL OF ORGANOMETALLIC CHEMISTRY, 2012, 705 :39-43

[6] Structural and catalytic properties of chelating bis- and tris-N-heterocyclic carbenes [J].

Mata, Jose A. ;

Poyatos, Macarena ;

Peris, Eduardo .

COORDINATION CHEMISTRY REVIEWS, 2007, 251 (5-6) :841-859

[7] A short history of SHELX [J].

Sheldrick, George M. .

ACTA CRYSTALLOGRAPHICA A-FOUNDATION AND ADVANCES, 2008, 64 :112-122

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