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Volumn 27, Issue 1, 2003, Pages 22-27

Distance criteria for crystal packing analysis of supramolecular motifs

Author keywords

[No Author keywords available]

Indexed keywords

ARTICLE; CRYSTAL STRUCTURE; ENERGY; GEOMETRY; MOLECULAR BIOLOGY; PRIORITY JOURNAL; SCALE UP; SUPRAMOLECULAR CHEMISTRY;

EID: 0037244412     PISSN: 11440546     EISSN: None     Source Type: Journal    
DOI: 10.1039/b206867b     Document Type: Article
Times cited : (198)

References (42)
  • 1
    • 84947533763 scopus 로고    scopus 로고
    • J. D. Dunitz, Pure Appl. Chem., 1991, 63, 177-185; J. D. Dunitz, in The Crystal as a Supramolecular Entity, ed. G. R. Desiraju, Wiley, Chichester, 1996, pp. 1-30.
    • (1991) Pure Appl. Chem. , vol.63 , pp. 177-185
    • Dunitz, J.D.1
  • 2
    • 84947533763 scopus 로고    scopus 로고
    • ed. G. R. Desiraju, Wiley, Chichester
    • J. D. Dunitz, Pure Appl. Chem., 1991, 63, 177-185; J. D. Dunitz, in The Crystal as a Supramolecular Entity, ed. G. R. Desiraju, Wiley, Chichester, 1996, pp. 1-30.
    • (1996) The Crystal as a Supramolecular Entity , pp. 1-30
    • Dunitz, J.D.1
  • 3
    • 0001752768 scopus 로고    scopus 로고
    • F. H. Allen, Acta Crystallogr., Sect. B, 2002, 58, 380-388; F. H. Allen and W. D. S. Motherwell, Acta Crystallogr., Sect. B, 2002, 58, 407-422.
    • (2002) Acta Crystallogr., Sect. B , vol.58 , pp. 380-388
    • Allen, F.H.1
  • 5
    • 0012646433 scopus 로고    scopus 로고
    • note
    • The contemporary explosion of publications with 'supramolecular' in the title, and crystal structures as the data, is obvious.
  • 7
    • 0007948076 scopus 로고
    • The adjective 'supramolecular' had origins in the description of interactions between polymer molecules: R. Hosemann and P. H. Lindenmeyer, J. Polym. Sci.: Part C, Polym. Symp., 1966, 20, 1-17; G. C. Oppenlander, Science, 1968, 159, 1311-1319.
    • (1966) J. Polym. Sci.: Part C, Polym. Symp. , vol.20 , pp. 1-17
    • Hosemann, R.1    Lindenmeyer, P.H.2
  • 8
    • 0012645756 scopus 로고
    • The adjective 'supramolecular' had origins in the description of interactions between polymer molecules: R. Hosemann and P. H. Lindenmeyer, J. Polym. Sci.: Part C, Polym. Symp., 1966, 20, 1-17; G. C. Oppenlander, Science, 1968, 159, 1311-1319.
    • (1968) Science , vol.159 , pp. 1311-1319
    • Oppenlander, G.C.1
  • 9
    • 0012693472 scopus 로고    scopus 로고
    • note
    • The intermolecular potential is often calculated as the sum of interatomic potentials, because this simplification allows a smaller number of parameterised interatomic potentials to be used for a larger number and range of intermolecular interactions. Potentials between full molecules can be obtained by quantum chemical calculations.
  • 11
    • 0012688163 scopus 로고    scopus 로고
    • note
    • The intermolecular potential, involving interactions between 'closed valence shell' atoms, is very different from the intramolecular bonding potentials with much deeper energy wells at standard bond distances that are roughly half the intermolecular distances.
  • 16
    • 0002611169 scopus 로고
    • N. W. Alcock, Adv. Inorg. Chem. Radiochem., 1972, 15, 1-58; J. Starbuck, N. C. Norman and A. G. Orpen, New J. Chem., 1999, 23, 969-972; A. G. Orpen, Acta Crystallogr., Sect. B, 2002, 58, 398-406.
    • (1972) Adv. Inorg. Chem. Radiochem. , vol.15 , pp. 1-58
    • Alcock, N.W.1
  • 17
    • 0032728149 scopus 로고    scopus 로고
    • N. W. Alcock, Adv. Inorg. Chem. Radiochem., 1972, 15, 1-58; J. Starbuck, N. C. Norman and A. G. Orpen, New J. Chem., 1999, 23, 969-972; A. G. Orpen, Acta Crystallogr., Sect. B, 2002, 58, 398-406.
    • (1999) New J. Chem. , vol.23 , pp. 969-972
    • Starbuck, J.1    Norman, N.C.2    Orpen, A.G.3
  • 18
    • 0012705663 scopus 로고    scopus 로고
    • N. W. Alcock, Adv. Inorg. Chem. Radiochem., 1972, 15, 1-58; J. Starbuck, N. C. Norman and A. G. Orpen, New J. Chem., 1999, 23, 969-972; A. G. Orpen, Acta Crystallogr., Sect. B, 2002, 58, 398-406.
    • (2002) Acta Crystallogr., Sect. B , vol.58 , pp. 398-406
    • Orpen, A.G.1
  • 19
    • 84977307362 scopus 로고
    • S. C. Nyburg and C. H. Faerman, Acta Crystallogr., Sect. B, 1985, 41, 274-279; G. A. Landrum, N. Goldberg and R. Hoffman, J. Chem. Soc., Dalton Trans., 1997, 3605-3613; P. Metrangolo and G. Resnati, Chem. Eur. J., 2001, 7, 2511-2519.
    • (1985) Acta Crystallogr., Sect. B , vol.41 , pp. 274-279
    • Nyburg, S.C.1    Faerman, C.H.2
  • 20
    • 33749107051 scopus 로고    scopus 로고
    • S. C. Nyburg and C. H. Faerman, Acta Crystallogr., Sect. B, 1985, 41, 274-279; G. A. Landrum, N. Goldberg and R. Hoffman, J. Chem. Soc., Dalton Trans., 1997, 3605-3613; P. Metrangolo and G. Resnati, Chem. Eur. J., 2001, 7, 2511-2519.
    • (1997) J. Chem. Soc., Dalton Trans. , pp. 3605-3613
    • Landrum, G.A.1    Goldberg, N.2    Hoffman, R.3
  • 21
    • 0035907730 scopus 로고    scopus 로고
    • S. C. Nyburg and C. H. Faerman, Acta Crystallogr., Sect. B, 1985, 41, 274-279; G. A. Landrum, N. Goldberg and R. Hoffman, J. Chem. Soc., Dalton Trans., 1997, 3605-3613; P. Metrangolo and G. Resnati, Chem. Eur. J., 2001, 7, 2511-2519.
    • (2001) Chem. Eur. J. , vol.7 , pp. 2511-2519
    • Metrangolo, P.1    Resnati, G.2
  • 22
  • 26
    • 0003438540 scopus 로고
    • Cornell University Press, Ithaca, New York
    • L. Pauling, The Nature of the Chemical Bond, Cornell University Press, Ithaca, New York, 1948, pp. 187-193.
    • (1948) The Nature of the Chemical Bond , pp. 187-193
    • Pauling, L.1
  • 27
    • 0012705664 scopus 로고    scopus 로고
    • unpublished results
    • I. Dance, unpublished results.
    • Dance, I.1
  • 30
    • 0000290521 scopus 로고    scopus 로고
    • A. Wada, H. Kanamori and S. Iwata, J. Chem. Phys., 1998, 109, 9434-9438; O. Couronne and Y. Ellinger, Chem. Phys. Lett., 1999, 306, 71-77.
    • (1998) J. Chem. Phys. , vol.109 , pp. 9434-9438
    • Wada, A.1    Kanamori, H.2    Iwata, S.3
  • 31
    • 0003100270 scopus 로고    scopus 로고
    • A. Wada, H. Kanamori and S. Iwata, J. Chem. Phys., 1998, 109, 9434-9438; O. Couronne and Y. Ellinger, Chem. Phys. Lett., 1999, 306, 71-77.
    • (1999) Chem. Phys. Lett. , vol.306 , pp. 71-77
    • Couronne, O.1    Ellinger, Y.2
  • 33
  • 34
    • 0030869971 scopus 로고    scopus 로고
    • P. Pyykko, J. Li and N. Runeberg, Chem. Phys. Lett., 1994, 218, 133-138; P. Pyykko and F. Mendizabal, Chem. Eur. J., 1997, 3, 1458-1465.
    • (1997) Chem. Eur. J. , vol.3 , pp. 1458-1465
    • Pyykko, P.1    Mendizabal, F.2
  • 36
    • 33751500620 scopus 로고
    • A. Gavezzotti, J. Am. Chem. Soc., 1991, 95, 8948-8955; J. K. Badenhoop and F. Weinhold, J. Chem. Phys., 1997, 107, 5406-5421.
    • (1991) J. Am. Chem. Soc. , vol.95 , pp. 8948-8955
    • Gavezzotti, A.1
  • 37
    • 0000503224 scopus 로고    scopus 로고
    • A. Gavezzotti, J. Am. Chem. Soc., 1991, 95, 8948-8955; J. K. Badenhoop and F. Weinhold, J. Chem. Phys., 1997, 107, 5406-5421.
    • (1997) J. Chem. Phys. , vol.107 , pp. 5406-5421
    • Badenhoop, J.K.1    Weinhold, F.2
  • 40
    • 0012647309 scopus 로고    scopus 로고
    • note
    • Following the more precise evaluations of Rowland and Taylor, the Bondi radii are unchanged, except for revision of the radius for H, from 1.2 to 1.1 Å.
  • 41
    • 0037016451 scopus 로고    scopus 로고
    • Generalised correlations of distance distributions and intermolecular potentials for hydrogen bonds of different strengths are presented by Steiner: T. Steiner, Angew. Chem., Int. Ed., 2002, 41, 48-76.
    • (2002) Angew. Chem., Int. Ed. , vol.41 , pp. 48-76
    • Steiner, T.1


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.