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Volumn 597, Issue 1-3, 2001, Pages 163-175

Crystallographic study and molecular orbital calculations of thiadiazole derivatives. Part 3: 3,4-diphenyl-1,2,5-thiadiazoline 1,1-dioxide, 3,4-diphenyl-1,2,5-thiadiazolidine 1,1-dioxide and 4-ethoxy-5-methyl-3,4-diphenyl-1,2,5-thiadiazoline 1,1-dioxide

(8) Castellano, E E a Piro, O E b Caram, J A c Mirifico M V c Aimone, S L c Vasini, E J c Marquez Lucero A d Glossman Mitnik, D d

a UNIVERSITY OF SÃO PAULO (Brazil)

b FACULTAD DE CIENCIAS EXACTAS (Argentina)

c INSTITUTO DE INVESTIGACIONES FISICOQUÍMICAS TEÓRICAS Y APLICADAS INIFTA (Argentina)

d CENTRO DE INVESTIGACIÓN EN MATERIALES AVANZADOS (Mexico)

Author keywords

1,2,5 Thiadiazole 1,1 dioxide derivatives; Ab initio MO calculations; DFT; Sensitivity analysis; Single crystal X ray diffraction

Indexed keywords

3,4 DIPHENYL 1,2,5 THIADIAZOLIDINE 1,1 DIOXIDE; 3,4 DIPHENYL 1,2,5 THIADIAZOLINE 1,1 DIOXIDE; 4 ETHOXY 5 METHYL 3,4 DIPHENYL 1,2,5 THIADIAZOLINE 1,1 DIOXIDE; THIAZOLE DERIVATIVE; UNCLASSIFIED DRUG;

ARTICLE; CHEMICAL REACTION; CONFORMATION; CRYSTAL STRUCTURE; CRYSTALLOGRAPHY; DENSITY GRADIENT; DIPOLE; ELECTRIC POTENTIAL; MOLECULAR DYNAMICS; STRUCTURE ANALYSIS; X RAY DIFFRACTION;

EID: 0035802376 PISSN: 00222860 EISSN: None Source Type: Journal
DOI: 10.1016/S0022-2860(01)00605-6 Document Type: Article

Times cited : (17)

References (63)

1
- 0003595556
- Wiley-VCH, Chichester, UK
- (1997) Handbook of Organic Conductive Molecules and Polymers
- Nalwa, H.S.¹

2
- 0003607021
- K.T. Potts (Ed.), Pergamon, Oxford, UK
- (1984) Comprehensive Heterocyclic Chemistry , vol.6
- Weinstock, L.M.¹ Shinkai, I.²

3
- 0004139257
- Wiley-VCH, Weinheim, FRG
- (1998) Electronic Materials: The Oligomer Approach
- Müllen, K.¹ Wegner, G.²

4
- 84889963487
- K.B. Lipkowitz, D.B. Boyd (Eds.), VCH Publishers, New York
- (1990) Reviews in Computational Chemistry , vol.1
- Lipkowitz, K.B.¹ Boyd, D.B.²

5
- 11644266970
- (1955) J. Chem. Phys. , vol.23 , pp. 1833
- Mulliken, R.S.¹

6
- 36849130718
- (1955) J. Chem. Phys. , vol.23 , pp. 1841
- Mulliken, R.S.¹

7
- 36849131261
- (1955) J. Chem. Phys. , vol.23 , pp. 2338
- Mulliken, R.S.¹

8
- 0004169629
- K.B. Lipkowitz, D.B. Boyd (Eds.), VCH Publishers, New York
- (1994) Reviews in Computational Chemistry , vol.5
- Bachrach, S.M.¹

9
- 0003824417
- Plenum Press, New York
- (1981) Chemical Applications of Atomic and Molecular Electrostatic Potentials
- Politzer, P.¹ Truhlar, D.G.²

10
- 0343626600
- (1934) J. Chem. Phys. , vol.2 , pp. 782
- Mulliken, R.S.¹

11
- 0345114077
- (1963) J. Am. Chem. Soc. , vol.85 , pp. 3533
- Pearson, R.G.¹

12
- 0342996701
- (1966) Science , vol.151 , pp. 172
- Pearson, R.G.¹

13
- 0003569570
- Oxford University Press, New York
- (1989) Density Functional Theory of Atoms and Molecules
- Parr, R.G.¹ Yang, W.²

14
- 0026123449
- (1991) Int. J. Chem. Kinet. , vol.23 , pp. 197
- Mirífico, M.V.¹ Vasini, E.J.² Sicre, J.E.³

15
- 0001418986
- (1995) Ann. Quim. , vol.91 , pp. 557
- Mirífico, M.V.¹ Vasini, E.J.²

16
- 84985490722
- (1993) J. Phys. Org. Chem. , vol.6 , pp. 341
- Mirífico, M.V.¹ Caram, J.A.² Vasini, E.J.³ Sicre, J.E.⁴

17
- 0001632267
- (1991) Electrochim. Acta , vol.36 , pp. 167
- Mirífico, M.V.¹ Caram, J.A.² Vasini, E.J.³

18
- 0028423554
- (1994) Electrochim. Acta , vol.39 , pp. 939
- Caram, J.A.¹ Mirífico, M.V.² Vasini, E.J.³

19
- 0032818091
- (1999) Can. J. Chem. , vol.77 , pp. 511
- Svartman, E.L.¹ Caram, J.A.² Mirífico, M.V.³ Vasini, E.J.⁴

20
- 0003471086
- (2000) J. Phys. Org. Chem. , vol.13 , pp. 277
- Aimone, S.L.¹ Caram, J.A.² Mirífico, M.V.³ Vasini, E.J.⁴

21
- 0001220961
- (1995) J. Mol. Struct. (Theochem) , vol.330 , pp. 385
- Glossman, M.D.¹

22
- 0003579274
- Universidade Federal de Santa Catarina Press, Santa Catarina, Brazil
- (1996) Atualidades de Fisicoquímica Orgánica 1995
- Glossman, M.D.¹

23
- 0002121975
- (1997) J. Mol. Struct. (Theochem) , vol.390 , pp. 67
- Glossman, M.D.¹

24
- 0001905847
- (1998) J. Phys. Org. Chem. , vol.11 , pp. 91
- Castellano, E.E.¹ Piro, O.E.² Caram, J.A.³ Mirífico, M.V.⁴ Aimone, S.L.⁵ Vasini, E.J.⁶ Glossman, M.D.⁷

25
- 0342699507
- (2000) Tetrahedron Lett. , vol.41 , pp. 3531
- Aimone, S.L.¹ Mirífico, M.V.² Caram, J.A.³ Glossman Mitnik, D.⁴ Piro, O.E.⁵ Castellano, E.E.⁶ Vasini, E.J.⁷

26
- 84885812937
- (2001) J. Mol. Struct. (Theochem) , vol.535 , pp. 39
- Glossman Mitnik, D.¹ Márquez Lucero, A.²

27
- 0035793320
- (2001) J. Mol. Struct. (Theochem) , vol.536 , pp. 41
- Glossman Mitnik, D.¹ Márquez Lucero, A.²

28
- 0001846507
- (2001) Int. J. Quant. Chem. , vol.81 , pp. 105
- Glossman Mitnik, D.¹ Márquez Lucero, A.²

29
- 0035970916
- (2001) J. Mol. Struct. (Theochem) , vol.538 , pp. 201
- Glossman Mitnik, D.¹ Márquez Lucero, A.²

30
- 0035795742
- (2001) J. Mol. Struct. , vol.562 , pp. 157
- Castellano, E.E.¹ Piro, O.E.² Caram, J.A.³ Mirífico, M.V.⁴ Aimone, S.L.⁵ Vasini, E.J.⁶ Márquez Lucero, A.⁷ Glossman Mitnik, D.⁸

31
- 0000294511
- C. Párkanyi (Ed.), Elsevier, Amsterdam
- (1998) Theoretical Organic Chemistry - Theoretical and Computational Chemistry , vol.5 , pp. 135
- Gázquez, J.L.¹

32
- 0001420035
- (1995) Annu. Rev. Phys. Chem. , vol.46 , pp. 701
- Parr, R.G.¹ Yang, W.²

33
- 33845375966
- (1986) J. Am. Chem. Soc. , vol.108 , pp. 5708
- Yang, W.¹ Mortier, W.J.²

35
- 2342430094
- (1951) Rev. Mod. Phys. , vol.23 , pp. 69
- Roothaan, C.C.J.¹

36
- 0002649888
- Kinoch Press, Birmingham, UK
- (1974) International Tables for X-ray Crystallography , vol.4 , pp. 71
- Cromer, D.T.¹ Waber, J.T.²

37
- 0000935088
- Kinoch Press, Birmingham, UK
- (1974) International Tables for X-ray Crystallography , vol.4 , pp. 149
- Cromer, D.T.¹ Ibers, J.T.²

38
- 0004150157
- University of Cambridge, Cambridge, UK
- (1976) SHELX, A Program for Crystal Structure Determination
- Sheldrick, G.M.¹

39
- 0004150157
- University of Göttingen, Göttingen, Germany
- (1993) SHELXL 93, A Program for Crystal Structure Refinement
- Sheldrick, G.M.¹

40
- 0003633339
- Enraf-Nonius, Delft, The Netherlands
- (1983) Enraf-Nonius Structure Determination Package
- Frenz, A.B.¹

41
- 0003625321
- Oak Ridge, TN, USA
- (1965) ORTEP-Report ORNL-3794
- Johnson, C.K.¹

42
- 33646767009
- (1997) J. Appl. Crystallogr. , vol.30 , pp. 565
- Farrugia, L.J.¹

43
- 0000066797
- (1975) Acta Crystallogr. , vol.B31 , pp. 2310
- Foces-Foces, C.¹ Cano, F.H.² García Blanco, S.³

44
- 0001034222
- (1977) Acta Crystallogr. , vol.B33 , pp. 910
- Foces-Foces, C.¹ Fayos, J.² Cano, F.H.³ García Blanco, S.⁴

45
- 0001104311
- (1979) Acta Crystallogr. , vol.B35 , pp. 2795
- Esteban Calderón, C.¹ Martínez Ripoll, M.² García Blanco, S.³

46
- 4243308568
- (1982) Acta Crystallogr. , vol.B38 , pp. 2296
- Esteban Calderón, C.¹ Martínez Ripoll, M.² García Blanco, S.³

47
- 0001475424
- (1982) Acta Crystallogr. , vol.B38 , pp. 1340
- Esteban Calderón, C.¹ Martínez Ripoll, M.² García Blanco, S.³

48
- 0000719167
- (1980) J. Am. Chem. Soc. , vol.45 , pp. 482
- Baker, R.J.¹ Chiu, S.² Klein, C.³ Timberlake, J.W.⁴ Trefonas, L.M.⁵

49
- 0005347017
- (1982) J. Am. Chem. Soc. , vol.104 , pp. 1375
- Amato, J.S.¹ Karady, S.² Reamer, A.A.³ Schlegel, H.B.⁴ Spriger, J.P.⁵ Weinstock, L.M.⁶

50
- 0001354699
- (1988) Tetrahedron Lett. , vol.29 , pp. 4843
- Zhou, Z.¹ Parr, R.G.²

51
- 1842691295
- (1987) J. Chem. Educ. , vol.64 , pp. 561
- Pearson, R.G.¹

52
- 0001445534
- (1997) J. Comp. Chem. , vol.18 , pp. 1943
- Salzner, U.¹ Lagowski, J.B.² Pickup, P.G.³ Poirier, R.A.⁴

53
- 0004119863
- Springer, Berlin
- (1973) Theory of Orientation and Stereoselection
- Fukui, K.¹

54
- 0000140589
- (1995) J. Phys. Chem. , vol.99 , pp. 6424
- Langenaeker, W.¹ De Proft, F.² Geerlings, P.³

55
- 0001288871
- (1998) J. Phys. Chem. , vol.102 , pp. 3746
- Roy, R.K.¹ Krishnamurti, S.² Geerlings, P.³ Pal, S.⁴

56
- 0007134716
- (1998) J. Phys. Chem. , vol.102 , pp. 7035
- Roy, R.K.¹ De Proft, F.² Geerlings, P.³

57
- 24544461814
- (1994) J. Phys. Chem. , vol.98 , pp. 4591
- Gázquez, J.L.¹ Méndez, F.²

58
- 0001704477
- (1992) J. Mol. Struct. (Theochem) , vol.259 , pp. 317
- Langenaeker, W.¹ Demel, K.² Geerlings, P.³

59
- 0003102413
- (1995) Chem. Phys. Lett. , vol.235 , pp. 17
- Baeten, A.¹ De Proft, F.² Geerlings, P.³

60
- 0010134739
- (1994) J. Mol. Struct. (Theochem) , vol.306 , pp. 203
- Baeten, A.¹ De Proft, F.² Langenaeker, W.³ Geerlings, P.⁴

61
- 33751158806
- (1994) J. Phys. Chem. , vol.98 , pp. 5227
- De Proft, F.¹ Amira, S.² Choho, K.³ Geerlings, P.⁴

62
- 84943920736
- (1990) Acta Crystallogr, A , vol.46 , pp. 467
- Sheldrick, G.M.¹

63
- 0000226574
- (1957) Acta Crystallog. , vol.10 , pp. 180
- Busing, W.R.¹ Levy, H.A.²

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