(E)-and (Z)-3-(4-chloro-5H-dithiazol-5-ylidene)-1,1,1-trifluoropentane- 2,4-diones and their analogs: Stereochemistry and their mechanisms of formation

Tetrahedron Letters

Volumn 39, Issue 32, 1998, Pages 5781-5784

  Lee, Hyi Seung ^a   Kim, Kyongtae ^a  

^a Seoul National University   (South Korea)

Author keywords

[No Author keywords available]

Indexed keywords

1,1,1 TRIFLUORO 2,4 PENTANEDIONE; 1,1,1,5,5,5 HEXAFLUORO 2,4 PENTANEDIONE; 4,4,4 TRIFLUORO 1 PHENYL 1,3 BUTANEDIONE; ACETYLACETONE; UNCLASSIFIED DRUG;

ARTICLE; CONFORMATIONAL TRANSITION; DRUG CONFORMATION; MOLECULAR INTERACTION; NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY; STEREOISOMERISM; STRUCTURE ANALYSIS;

EID: 0032490903     PISSN: 00404039     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0040-4039(98)01174-5     Document Type: Article

References (5)

1. 1. Appel, R.; Janssen, H.; Siray, M.; Knoch, F. Chem. Ber. 1985, 118, 1632-1643.
2. 2. Rees, C. W. J. Heterocycl. Chem. 1992, 29, 639-651.
3. 3. Emayan, K.; English, R. F.; Koutentis, P. A.; Rees, C. W. J. Chem. Soc., Perkin Trans. 1, 1997, 3345-3349.
4. 2: C, 24.47; N, 4.08; S, 18.66. Found: C, 24.42; N, 4.01; S, 18.55.
5. 2 = 0.2153 (190 parameters). The data were collected on an Enraf-Nomius CAD 4 diffractometer using graphite-monochromated Mo-Kα radiation (λ = 0.71073 Å). Refinements were carried out by full least-squares techniques. Atomic scattering factors were taken from International Tables for X-ray crystallography, Vol IV, 1974. All calculations and drawings were performed using a Micro VAX n computer with the SPD system. Selected Bond lengths [Å] and angles [deg] for 8d: S(1)-C(4) 1.731 (6), S(1)-S(2) 2.063 (2), S(2)-N(1) 1.618 (7), N(1)-C(5) 1.304 (9), C(4)-C(5) 1.458 (8), C(3)-C(4) 1.383 (8), C(2)-C(3) 1.432 (8), C(3)-C(6) 1.531 (8), O(1)-C(2) 1,232 (7), 0(2)-C(6) 1.214 (8), C(4)-S(1)-S(2) 93.9 (2), N(1)-S(2)-S(1) 97.7 (2), C(5)-N(1)-S(2) 116.5 (5), N(1)-C(5)-C(4) 120.9 (6), C(5)-C(4)-S(1) 110.6 (4), C(3)-C(4)-S(1) 120.5 (4), C(4)-C(3)-C(2) 116.2 (5). C(4)-C(3)-C(6) 123.5 (5), O(1)-C(2)-C(3) 121.9 (5), O(2)-C(6)-C(3) 117.2 (5).