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Volumn 10, Issue 9, 2010, Pages 4184-4196

Using water as a design element in crystal engineering. Host-guest compounds of hydrated 3,5-dihydroxybenzoic acid

Author keywords

[No Author keywords available]

Indexed keywords

1-PROPANOL; 2-BUTANOL; CHLOROACETONITRILE; CRYSTAL PACKINGS; DESIGN ELEMENTS; DIETHYL MALONATES; DIETHYL OXALATES; DIETHYL SUCCINATE; DIHYDROXYBENZOIC ACIDS; DIMETHYL OXALATE; ETHYL ACETATES; GUEST MOLECULES; HEXAGONAL VOID; HOST-GUEST COMPOUND; HYDROGEN BOND ACCEPTORS; HYDROGEN BONDINGS; MULTICOMPONENTS; N ,N-DIMETHYLFORMAMIDE; N-PROPYL; OH GROUP; ROLE OF WATER; WATER ACT; WATER MOLECULE;

EID: 77957915514     PISSN: 15287483     EISSN: 15287505     Source Type: Journal    
DOI: 10.1021/cg100872w     Document Type: Article
Times cited : (70)

References (85)
  • 5
    • 0003074617 scopus 로고
    • Franks, F., Ed.; Plenum Press: New York
    • Falk, M.; Knop, O. Water: A Comprehensive Treatise; Franks, F., Ed.; Plenum Press: New York, 1973; Vol. 2, pp 55- 113.
    • (1973) Water: A Comprehensive Treatise , vol.2 , pp. 55-113
    • Falk, M.1    Knop, O.2
  • 14
    • 0001136797 scopus 로고
    • The Properties of Ice
    • Franks, F., Ed.;; Plenum: New York
    • Frank, F. The Properties of Ice. In Water: A Comprehensive Treatise; Franks, F., Ed.; Plenum: New York, 1973; Vol. 1, pp 115- 150.
    • (1973) Water: A Comprehensive Treatise , vol.1 , pp. 115-150
    • Frank, F.1
  • 21
    • 0002095772 scopus 로고    scopus 로고
    • Brittain, H. G., Ed.; Marcel Dekker, Inc.: New York
    • Morris, K. R. In Polymorphism in Pharmaceutical Solids; Brittain, H. G., Ed.; Marcel Dekker, Inc.: New York, 1999; Vol. 95, pp 125- 181.
    • (1999) Polymorphism in Pharmaceutical Solids , vol.95 , pp. 125-181
    • Morris, K.R.1
  • 36
    • 77957909539 scopus 로고    scopus 로고
    • The currently ongoing blind test for crystal structure prediction (CSP2010) conducted by the Cambridge Crystallographic Data Centre involves the prediction of a polymorphic form of gallic acid hydrate. Some polymorphs of this hydrate have already been reported in the literature, and the contestants have to predict a new polymorph
    • The currently ongoing blind test for crystal structure prediction (CSP2010) conducted by the Cambridge Crystallographic Data Centre involves the prediction of a polymorphic form of gallic acid hydrate. Some polymorphs of this hydrate have already been reported in the literature, and the contestants have to predict a new polymorph.
  • 47
    • 77957925252 scopus 로고    scopus 로고
    • CrystalClear 2.0; Rigaku Corporation: Tokyo, Japan
    • CrystalClear 2.0; Rigaku Corporation: Tokyo, Japan.
  • 53
    • 77957910414 scopus 로고    scopus 로고
    • The classification of the water in the present paper does not involve the primary coordination environment of the coordination complexes
    • The classification of the water in the present paper does not involve the primary coordination environment of the coordination complexes.
  • 80
    • 77957888712 scopus 로고    scopus 로고
    • Sarma (ref 26) have stated that "the hydrogen.in the acid homodimer could not be located from a difference electron density Fourier map". We found that the situation is quite complicated. In many cases, the acid H-atom was located easily in the difference Fourier map. Generally, only a single H-atom position was found rather than two half-H atoms, which would have been suggestive of disorder. However, the two C-O distances in the carboxyl group ranged from an extreme of 1.22, 1.31 to nearly equal distances 1.26, 1.26, showing the full extent of order/disorder of the carboxyl group. Further, the different carboxyl dimers in any one particular structure could also show variability in the disorder
    • Sarma (ref 26) have stated that "the hydrogen...in the acid homodimer could not be located from a difference electron density Fourier map". We found that the situation is quite complicated. In many cases, the acid H-atom was located easily in the difference Fourier map. Generally, only a single H-atom position was found rather than two half-H atoms, which would have been suggestive of disorder. However, the two C-O distances in the carboxyl group ranged from an extreme of 1.22, 1.31 to nearly equal distances 1.26, 1.26, showing the full extent of order/disorder of the carboxyl group. Further, the different carboxyl dimers in any one particular structure could also show variability in the disorder.
  • 84
    • 0000032166 scopus 로고
    • There is a similarity in this design strategy to the technique of coordinato-clathration reported more than 25 years ago by Weber. See
    • There is a similarity in this design strategy to the technique of coordinato-clathration reported more than 25 years ago by Weber. See: Weber, E.; Csoregh, I.; Stensland, B.; Czugler, M. J. Am. Chem. Soc. 1984, 106, 3297-3306
    • (1984) J. Am. Chem. Soc. , vol.106 , pp. 3297-3306
    • Weber, E.1    Csoregh, I.2    Stensland, B.3    Czugler, M.4


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.