SCOPUS 정보 검색 플랫폼

Journal of the American Chemical Society

Volumn 123, Issue 32, 2001, Pages 7898-7906

A solid-state NMR, X-ray diffraction, and ab initio computational study of hydrogen-bond structure and dynamics of pyrazole-4-carboxylic acid chains

(9) Foces Foces, C a Echevarria A b Jagerovic, N b Alkorta, I b Elguero, J b Langer, U c Klein, O c Minguet Bonvehi M c Limbach, H H c

a INSTITUTO DE QUÍMICA FÍSICA ROCASOLANO (Spain)

b INSTITUTO DE QUÍMICA MÉDICA (Spain)

c FREIE UNIVERSITÄT BERLIN (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

HYDROGEN BRIDGES;

ANNEALING; CRYSTAL STRUCTURE; HYDROGEN BONDS; NUCLEAR MAGNETIC RESONANCE; PROTONS; THERMAL EFFECTS; X RAY CRYSTALLOGRAPHY; X RAY DIFFRACTION;

CARBOXYLIC ACIDS;

4 PYRAZOLECARBOXYLIC ACID DERIVATIVE; CARBOXYLIC ACID DERIVATIVE; NITROGEN; OLIGOMER; OXYGEN; PYRAZOLE DERIVATIVE; UNCLASSIFIED DRUG;

ARTICLE; CALCULATION; CRYSTAL STRUCTURE; DYNAMICS; HEATING; HYDROGEN BOND; NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY; PHASE TRANSITION; PRECIPITATION; PROTON TRANSPORT; SOLID STATE; TEMPERATURE SENSITIVITY; X RAY CRYSTALLOGRAPHY; X RAY DIFFRACTION;

EID: 0034815821 PISSN: 00027863 EISSN: None Source Type: Journal
DOI: 10.1021/ja002688l Document Type: Article

Times cited : (86)

References (62)

1
- 0001005854
- (1973) Acta Chem. Scand. , vol.27 , pp. 1845
- La Cour, T.¹ Rasmussen, S.E.²

2
- 37049091485
- (1981) J. Chem. Soc., Chem. Commun. , pp. 1207
- Elguero, J.¹ Fruchier, A.² Pellegrin, V.³

3
- 33845379599
- (1985) J. Am. Chem. Soc. , vol.107 , pp. 5290
- Baldy, A.¹ Elguero, J.² Faure, R.³ Pierrot, M.⁴ Vincent, E.-J.⁵

4
- 33845183446
- (1989) J. Am. Chem. Soc. , vol.111 , pp. 7304
- Smith, J.A.S.¹ Wehrle, B.² Aguilar-Parrilla, F.³ Limbach, H.-H.⁴ Foces-Foces, C.⁵ Cano, F.H.⁶ Elguero, J.⁷ Baldy, A.⁸ Pierrot, M.⁹ Khurshid, M.M.T.¹⁰ Larcombe-McDouall, J.B.¹¹

5
- 0345023528
- (1992) J. Am. Chem. Soc. , vol.114 , pp. 9657
- Aguilar-Parrilla, F.¹ Scherer, G.² Limbach, H.-H.³ Foces-Foces, C.⁴ Cano, F.H.⁵ Smith, J.A.S.⁶ Toiron, C.⁷ Elguero, J.⁸

6
- 84944815638
- (1994) Acta Crystallogr. , vol.B50 , pp. 746
- Llamas-Saiz, A.L.¹ Foces-Foces, C.² Cano, F.H.³ Jimenez, P.⁴ Laynez, J.⁵ Meutermans, W.⁶ Elguero, J.⁷ Limbach, H.H.⁸ Aguilar-Parrilla, F.⁹

7
- 0000718612
- (1995) J. Org. Chem. , vol.60 , pp. 1965
- Aguilar-Parrilla, F.¹ Limbach, H.H.² Foces-Foces, C.³ Cano, F.H.⁴ Jagerovic, N.⁵ Elguero, J.⁶

8
- 3042757121
- (1996) J. Magn. Res. , vol.A120 , pp. 46
- Hoelger, C.¹ Limbach, H.-H.² Aguilar-Parrilla, F.³ Elguero, J.⁴ Weintraub, O.⁵ Vega, S.⁶

9
- 0003316232
- (1999) Z. Kristallogr. , vol.214 , pp. 237
- Foces-Foces, C.¹ Llamas-Saiz, A.L.² Elguero, J.³

10
- 77957048095
- (1987) Adv. Heterocycl. Chem. , vol.41 , pp. 187
- Catalan, J.¹ Abboud, J.L.M.² Elguero, J.³

11
- 0033428816
- (1999) New J. Chem. , vol.23 , pp. 1231
- Alkorta, I.¹ Elguero, J.² Donnadieu, B.³ Etienne, M.⁴ Jaffart, J.⁵ Schagen, D.⁶ Limbach, H.-H.⁷

12
- 37049086998
- (1993) J. Chem. Soc., Chem. Commun. , pp. 1139
- Toda, F.¹ Tanaka, K.² Foces-Foces, C.³ Llamas-Saiz, A.L.⁴ Limbach, H.-H.⁵ Aguilar-Parrilla, F.⁶ Claramunt, R.M.⁷ Lopez, C.⁸ Elguero, J.⁹

13
- 33747808916
- (1994) J. Phys. Chem. , vol.98 , pp. 8752
- Aguilar-Parrilla, F.¹ Claramunt, R.M.² Lopez, C.³ Sanz, D.⁴ Limbach, H.-H.⁵ Elguero, J.⁶

14
- 0000244276
- (1997) J. Chem. Soc., Perkin Trans. 2 , pp. 101
- De Paz, J.L.G.¹ Elguero, J.² Foces-Foces, C.³ Llamas-Saiz, A.L.⁴ Aguilar-Parrilla, F.⁵ Klein, O.⁶ Limbach, H.-H.⁷

15
- 0038655811
- (1997) Ber. Bunsen-Ges. Phys. Chem. , vol.101 , pp. 889
- Aguilar-Parrilla, F.¹ Klein, O.² Elguero, J.³ Limbach, H.-H.⁴

16
- 0003377609
- (1999) Isr. J. Chem. , vol.34 , pp. 291
- Klein, O.¹ Bonvehi, M.M.² Aguilar-Parrilla, F.³ Elguero, J.⁴ Limbach, H.-H.⁵

17
- 36749105823
- (1982) J. Chem. Phys. , vol.76 , pp. 768
- Meier, B.H.¹ Graf, F.² Ernst, R.R.³

18
- 0003424950
- (1990) J. Chem. Phys. , vol.93 , pp. 768
- Meyer, R.¹ Ernst, R.R.²

19
- 36449007864
- (1991) J. Chem. Phys. , vol.95 , pp. 4201
- Heuer, A.¹ Haeberlen, U.²

20
- 0003442138
- (1990) J. Chem. Phys. , vol.93 , pp. 15002
- Stöckli, A.¹ Maier, B.H.² Kreis, R.³ Meyer, R.⁴ Ernst, R.R.⁵

21
- 33646909385
- (1998) Ber. Bunsen-Ges. Phys. Chem. , vol.102 , pp. 317
- Horsewill, A.J.¹ Brougham, D.F.² Jenkinson, R.I.³ McGloin, C.J.⁴ Trommsdorff, H.P.⁵ Johnson, M.R.⁶

22
- 33646902666
- (1998) Ber. Bunsen-Ges. Phys. Chem. , vol.102 , pp. 325
- Neumann, M.A.¹ Craciun, S.² Corval, A.³ Johnson, M.R.⁴ Horsewill, A.J.⁵ Benderskii, V.A.⁶ Trommsdorff, H.P.⁷

23
- 0032501376
- (1998) J. Am. Chem. Soc. , vol.120 , pp. 12595
- Loerting, T.¹ Liedl, K.R.²

24
- 0032790258
- (1999) New J. Chem. , pp. 25-34
- Allen, F.H.¹ Motherwell, W.D.S.² Raithby, P.R.³ Shields, G.P.⁴ Taylor, R.⁵

25
- 0003767299
- Elsevier: Amsterdam
- (1989) Crystal Engineering. The Design of Organic Solids , pp. 129-132
- Desiraju, G.R.¹

26
- 0001484107
- The role of hydrogen bonding in molecular assemblies
- Bürgi, H. B., Dunitz, J. D., Eds.; VCH: Weinheim
- (1994) Structure Correlation , vol.2 , pp. 447-450
- Bernstein¹ Etter, M.C.² Leiserowitz, L.³

27
- 0003231666
- Shape and symmetry in the design of new hosts
- Atwood, J. L., Davies, J. E. D., Macnicol, D. D., Vögtle, F., Eds.
- (1996) Comprehensive Supramolecular Chemistry , vol.6 , pp. 535-592
- Weber, E.¹

28
- 1842479637
- (1996) Chem. Commun. , pp. 401
- Thalladi, V.R.¹ Goud, B.S.² Hoy, V.J.³ Allen, F.H.⁴ Howard, J.A.K.⁵ Desiraju, G.R.⁶

29
- 0033603860
- (1999) J. Am. Chem. Soc. , vol.121 , pp. 7625-7635
- Meot-Ner, M.¹ Elmore, D.E.² Scheiner, S.³

30
- 0003381764
- (1986) J. Solid State Chem. , vol.61 , pp. 20
- Fischer, P.Z.¹ Maier, B.H.² Ernst, R.R.³ Hewat, A.W.⁴ Jorgensen, J.D.⁵ Rotella, F.J.⁶

31
- 84977297742
- (1993) Acta Crystallogr., Sect. C , vol.49 , pp. 779
- Benetollo, F.¹ Del Para, A.²

32
- 0031997639
- (1998) Acta Crystallogr., Sect. C , vol.54 , pp. 253
- Dobson, A.J.¹ Gerkin, R.E.²

33
- 0003315986
- (1987) Khim. Fiz. , vol.6 , pp. 176
- Bureiko, S.F.¹ Golubev, N.S.² Chernysheva, I.V.³

34
- 54249094379
- (1996) J. Chem. Soc., Perkin Trans. 2 , pp. 349
- Foces-Foces, C.¹ Infantes, L.² Aguilar-Parrilla, F.³ Golubev, N.S.⁴ Limbach, H.-H.⁵ Elguero, J.⁶

35
- 0003435017
- note

36
- 0003317719
- note

37
- 84983681648
- (1986) J. Appl. Crystallogr. , vol.19 , pp. 105
- Cosier, J.¹ Glazer, A.M.²

38
- 0003435019
- Seifert, u.Co.: Ahrensburg, Germany
- (1996) CRYSOM, Version 2.8.
- Seifert¹

39
- 0015574457
- (1973) Philips Tech. Rev. , vol.33 , pp. 61
- Hornstra, J.¹ Vossers, H.²

40
- 0003780015
- University of Bari, Italy
- (1997) SIR97, A package for crystal structure solution by direct methods and refinement
- Altomare, A.¹ Cascarano, G.² Giacovazzo, C.³ Guagliardi, A.⁴ Moliterni, A.G.G.⁵ Burla, M.C.⁶ Polidori, G.⁷ Camalli, M.⁸ Spagna, R.⁹

41
- 0004115040
- Unpublished Program; Instituto "Rocasolano": CSIC, Madrid, Spain
- (1975) PESOS
- Martinez-Ripoll, M.¹ Cano, F.H.²

42
- 0003872738
- Kynoch Press: Birmingham, England
- (1974) International Tables for X-ray Crystallography

43
- 0003410413
- The University of Western Australia: Australia
- (1999) The Xtal System of Crystallographic Software. Xtal3.6; User's Manual
- Hall, S.R.¹ Du Boulay, D.J.² Olthof-Hazekamp, R.³

44
- 0020909036
- (1983) Comput. Chem. , vol.7 , pp. 95
- Nardelli, M.¹

47
- 4243553426
- (1988) Phys. Rev. A , vol.38 , pp. 3098
- Becke, A.D.¹

48
- 0000189651
- (1993) J. Chem. Phys. , vol.98 , pp. 5648
- Becke, A.D.¹

49
- 0345491105
- (1988) Phys. Rev. B , vol.37 , pp. 785
- Lee, C.¹ Yang, W.² Parr, R.G.³

50
- 0038596731
- (1989) Chem. Phys. Lett. , vol.157 , pp. 200
- Miehlich, B.¹ Savin, A.² Stoll, H.³ Preuss, H.⁴

51
- 0003569570
- Oxford: New York
- (1989) Density-Functional Theory of Atoms and Molecules
- Parr, R.G.¹ Yang, W.²

52
- 0001192473
- Lipkowitz, K. B., Boyd, D. B.; Eds.; VCH Publishers: New York
- (1996) Reviews in Computational Chemistry , vol.7 , pp. 187-216
- Bartolotti, L.J.¹ Fluchick, K.²

53
- 33748545144
- (1973) Theor. Chim. Acta , vol.28 , pp. 213
- Hariharan, P.C.¹ Pople, J.A.²

54
- 0000928308
- (1986) J. Magn. Reson. , vol.70 , pp. 307
- Du Bois Murphy, P.¹

55
- 49349127089
- (1978) J. Magn. Reson. , vol.30 , pp. 613
- Torchia, D.A.J.¹

56
- 0000283513
- (1977) J. Magn. Reson. , vol.28 , pp. 217
- Witanowski, M.¹ Stefaniak, L.² Szymanski, S.³ Januszewski, H.⁴

57
- 0004222665
- Academic Press: New York
- (1981) Annual Reports on NMR Spectroscopy , vol.11 B
- Witanowski, M.¹ Stefaniak, L.² Webb, G.A.³

58
- 0003561703
- 15N NMR Spectroscop
- (1989) NMR: Basic Principles and Progress , vol.18
- Martin, G.¹ Martin, M.L.² Gouesnard, J.P.³

59
- 0000617915
- (1977) J. Magn. Reson. , vol.28 , pp. 227
- Srinivasan, P.R.¹ Lichter, R.L.²

60
- 33845278353
- (1988) J. Am. Chem. Soc. , vol.110 , pp. 7014
- Wehrle, B.¹ Zimmermann, H.² Limbach, H.H.³

61
- 0000086443
- (1989) Chem. Phys. , vol.136 , pp. 223
- Wehrle, B.¹ Limbach, H.H.²

62
- 4244060669
- (1972) Acta Crystallogr. , vol.A28 , pp. 215
- Abrahams, S.C.¹ Keve, R.T.²

* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.