Hydrogen-bond distances to halide ions in organic and organometallic crystal structures: Up-to-date database study

被引:335
作者
Steiner, T [1 ]
机构
[1] Frei Univ Berlin, Inst Kristallog, D-14195 Berlin, Germany
来源
ACTA CRYSTALLOGRAPHICA SECTION B-STRUCTURAL SCIENCE | 1998年 / 54卷
关键词
D O I
10.1107/S0108768197014821
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
Geometrical data on hydrogen bonds to halide ions are compiled from the currently available crystal structures. Hydrogen bonds from 25 donor types to fluoride, chloride, bromide and iodide ions are considered. Compared with earlier compilations, the increased data volume allows a finer subdivision of O-H and N-H donors, and the donors C-H, S-H and P-H can be included. For a given donor type, the hydrygen-bond distance typically increases by over 0.5 Angstrom from fluoride to chloride, 0.15 Angstrom from chloride to bromide and 0.25 Angstrom from bromide to iodide accepters. The strongest of the C-H donors considered, chloroform, forms hydrogen bonds with chloride ions with an average H ... Cl separation of only 2.39 Angstrom and an average C ... Cl separation of 3.42 Angstrom. The lengthening of the N-H covalent bond in hydrogen bonds to chloride ions is quantified from neutron diffraction data.
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页码:456 / 463
页数:8
相关论文
共 26 条
[1]  
AAKEROY CB, 1993, Z NATURFORSCH B, V48, P1023
[2]   A SYSTEMATIC PAIRWISE COMPARISON OF GEOMETRIC PARAMETERS OBTAINED BY X-RAY AND NEUTRON-DIFFRACTION [J].
ALLEN, FH .
ACTA CRYSTALLOGRAPHICA SECTION B-STRUCTURAL SCIENCE, 1986, 42 :515-522
[3]  
ALLEN FH, 1993, CHEM DESIGN AUTOMATI, V8, P1
[4]  
ALLEN FH, 1992, INT TABLES CRYSTALLO, V3, P685
[5]   HALIDE ANIONS AS PROTON ACCEPTORS IN HYDROGEN BONDING [J].
ALLERHAND, A ;
SCHLEYER, PV .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1963, 85 (09) :1233-+
[6]   Resonance-assisted O-H center dot center dot center dot O hydrogen bonding: Its role in the crystalline self-recognition of beta-diketone enols and its structural and IR characterization [J].
Bertolasi, V ;
Gilli, P ;
Ferretti, V ;
Gilli, G .
CHEMISTRY-A EUROPEAN JOURNAL, 1996, 2 (08) :925-934
[7]   TRIPHENYLPHOSPHONIUM BROMIDE [J].
BRICKLEBANK, N ;
GODFREY, SM ;
MCAULIFFE, CA ;
PRITCHARD, RG .
ACTA CRYSTALLOGRAPHICA SECTION C-CRYSTAL STRUCTURE COMMUNICATIONS, 1993, 49 :1017-1018
[8]  
Callomon J H., 1976, STRUCTURE DATA FREE, V7
[9]   THE WATER MOLECULE IN CRYSTALLINE HYDRATES STUDIED BY NEUTRON-DIFFRACTION [J].
CHIARI, G ;
FERRARIS, G .
ACTA CRYSTALLOGRAPHICA SECTION B-STRUCTURAL SCIENCE, 1982, 38 (SEP) :2331-2341
[10]   AGGREGATION OF METALATED ORGANICS BY HYDROGEN-BONDING - SYNTHESIS AND CRYSTAL-STRUCTURES OF 2-AMINOPHENOXY-ALUMINUM AND SALEN-ALUMINUM LIGAND-SEPARATED ION-PAIRS [J].
DAVIDSON, MG ;
LAMBERT, C ;
LOPEZSOLERA, I ;
RAITHBY, PR ;
SNAITH, R .
INORGANIC CHEMISTRY, 1995, 34 (14) :3765-3779