Extended motifs from water and chemical functional groups in organic molecular crystals

被引:435
作者
Infantes, L
Chisholm, J
Motherwell, S
机构
[1] Cambridge Crystallog Data Ctr, Cambridge CB2 1EZ, England
[2] Univ Cambridge, Dept Mat Sci & Met, Pfizer Inst Pharmaceut Mat Sci, Cambridge CB2 3QZ, England
来源
CRYSTENGCOMM | 2003年 / 5卷
关键词
D O I
10.1039/b312846f
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
The probability of organic compounds crystallising as hydrates increases with increasing number of polar chemical groups in the molecule. The extended patterns of H-bonding involving chemical groups and water molecules have been studied and classified. The most frequent ring, chain, tape and layer patterns displayed between the water molecules alone in organic molecular crystals are also predominant patterns in the larger H-bond network when other donor/acceptors are included.
引用
收藏
页码:480 / 486
页数:7
相关论文
共 9 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
[3]   Hydration in molecular crystals - A Cambridge Structural Database analysis [J].
Gillon, AL ;
Feeder, N ;
Davey, RJ ;
Storey, R .
CRYSTAL GROWTH & DESIGN, 2003, 3 (05) :663-673
[4]   On the inclusion of solvent molecules in the crystal structures of organic compounds [J].
Görbitz, CH ;
Hersleth, HP .
ACTA CRYSTALLOGRAPHICA SECTION B-STRUCTURAL SCIENCE, 2000, 56 :526-534
[5]   Water clusters in organic molecular crystals [J].
Infantes, L ;
Motherwell, S .
CRYSTENGCOMM, 2002, 4 :454-461
[6]   THE STEREOCHEMISTRY OF THE WATER-MOLECULES IN THE HYDRATES OF SMALL BIOLOGICAL MOLECULES [J].
JEFFREY, GA ;
MALUSZYNSKA, H .
ACTA CRYSTALLOGRAPHICA SECTION B-STRUCTURAL SCIENCE, 1990, 46 :546-549
[7]   Pseudopolymorphism: occurrences of hydrogen bonding organic solvents in molecular crystals [J].
Nangia, A ;
Desiraju, GR .
CHEMICAL COMMUNICATIONS, 1999, (07) :605-606
[8]   DATABASE STUDIES OF HALIDE ION-PAIRS WITH BRIDGING WATER AND NH2 AMINO MOLECULES [J].
PATHANENI, SS ;
DESIRAJU, GR .
JOURNAL OF THE CHEMICAL SOCIETY-DALTON TRANSACTIONS, 1993, (16) :2505-2508
[9]  
*RPLUTO, 2002, PROGR CRYST STRUCT V