C. MI~ZII~RE, M. SALLI~ AND M. FOURMIGUI~ 2007 Data collection Enraf-Nonius CAD-4 diffractometer w/20 scans Absorption correction: none 4100 measured reflections 3163 independent reflections 1754 reflections with I > 2cr(/) R,ot = 0.042 0m~., = 25.97 ° h = -1 ~ 11 k= -1 ---~ 16 1=-16---, 16 3 standard reflections frequency: 60 rain intensity decay: none Sail& M., Gorgues, A., Jubault, M., Boubekeur, K.. Batail, P. & Carlier, R. (1996). Bull. Soc. Chim. Fr. 133, 417-426. Sall6, M., Jubault, M., Gorgues, M., Boubekeur, K., Fourmigu6, M., Batail, P. & Canadell, E. (1993). Chem. Mater. 5, 1196-1198 Sheldrick, G. M. (1990). Acta Crvst. A46, 467-473. Shcldrick, G. M. (1993). SHELXL93. Program for the Refinement of Crystal Structures. University of Gottingen, Germany. Refinement Refinement on F 2 R(F) = 0.040 wR(F2) = 0.086 S = 1.116 3163 reflections 199 parameters H atoms constrained w= 1/[cr~-(F,~) + (0.0448Pf + 0.5754P] where P = (F,~ + 2F,2)13 (A/cr)m,~ < 0.001 Apmax = 0.480 e A,-3 Apmin = -0.365 e ~-3 Extinction correction: none Scattering factors from International Tables for Crystallography (Vol. C) Table 1. Selected bond lengths (A) sI--cl 1.755 (4) $6--c13 1.737 (5) sI--C3 1.776 (5) s6----c 12 1.756 f51 $2--c2 1.726 (5) $7---c9 1.740 (51 $2--C3 1.767 (4) S7~C8 1.854 (4) $3~4 1.757 (41 $8~CI0 1.744 (5) $3---C5 1.818 (51 S8---C8 1.839 (4) $4~C4 1.760 (4/ C1--C2 1.347 (6) $4---C6 1.810 (5) CI--CI 1 1.439 (6) $5~C14 1.730 ~5) C3--C4 1.326 (6) $5---C 12 1.761 (41 Data collection: CAD-4-PC (Enraf-Nonius, 1994). Cell refine- ment: CAD-4-PC. Data reduction: XCAD4 (Harms, 1993). Pro- gram(s) used to solve structure: SHELXS86 (Sheldrick, 1990). Program(s) used to refine structure: SHELXL93 (Sheldrick, 1993). Molecular graphics: ORTEPII (Johnson, 1976). Soft- ware used to prepare material for publication: SHELXL93. Supplementary data for this paper are available from the IUCr electronic archives (Reference: FG1493). Services for accessing these data are described at the back of the journal. References Benahmed-Gasmi, A. S., Fr~re, P., Belyasmine, A., Malik, K. M. A.. Hursthouse, M. B.. Moore, A. J., Bryce, M. R.. Jubault. M. & Gorgucs, A. (1993). Tetrahedron Len. 34. 2131-2134. Cooper, W. F., Kenney, N. C., Edmonds, J. C., Nagel, A., Wudl, F. & Coppens, P. (1971). J. Chem. Soc. Chem. Commun, pp. 889-890 Enraf-Nonius (1994). CAD-4-PC. Version 1.2. Enraf-Nonius, Delft. The Netherlands. Favard, J. F., Fr~re, P., Riou. A., Benahmed-Gasmi, A. S., Gorgues, A., Jubault, M. & Roncali, J. (1998). J. Mater. Chem. 8, 363-366. Fr~re, P., Gorgues, A., Jubault, M., Riou, A., Gouriou, Y. & Roncali, J. (1994). Tetrahedron Len. 35, 1991-1994. Harms, K. (1993). XCAD4. Program for the Reduction of Enraf- Nonius CAD-4 Diffractometer Data. University of Marburg, Ger- many. Johnson, C. K. (1976). ORTEPII. Report ORNL-5138. Oak Ridge National Laboratory. Tennessee, USA. Krebs, F. C., Larsen. J.. Boubekeur. K. & Fourmigu6, M. (1993). Acta Chem. Stand. 47. 910-915. Acta Cryst. (1998). C54, 2007-2009 Dibromo[(Z)-2-bromo-2-(hydroxymethyl)- vinyl](n-butyl)tellurium(IV) J. ZUKERMAN-SCHPECTOR, a* HI~LIO A. STEFANI, b DIOGO DE 0 . SILVA, b ANTONIO L. BRAGA, c LUCIANO DORNELLES, c CLAUDIO DA C. SILVEIRA c AND I. CARACELLI d ~Laborat6rio de Cristalografia, Estereodin6mica e Mode- lagem Molecular, Departamento Qu[mica, Universidade Federal de S~o Carlos, Caixa Postal 676, 13565-905 S6o Carlos, SP, Brazil, and lnstituto de Quimica-USP-SP, Brazil, hFaculdade de CiEncias Farmacduticas, USP, Sdo Paulo, SP, Brazil, 'Departamento de Qufmica, Universidade Federal de Santa Maria, Santa Maria, RS, Brazil, and aDepartamento F[sica, Universidade Federal de Sdo Carlos, SP, Brazil. E-mail: julio@power, ufscar.br (Received 17April 1998: accepted 14 July 1998) Abstract In the title compound, [TeBr2(C4H9)(C3H4BrO)] or C7HI3Br3OTe, the primary geometry about the Te TM atom is a pseudo-trigonal-bipyramidal arrangement with axial bromines and one equatorial position vacant. If an intermolecular secondary Te...O bond of 3.041 (5)A, trans to the Te---C(vinylic) bond, is taken into consideration, the structure may be re- garded as pseudo-octahedral. Distances and angles are: Te--Br 2.7295(10) and 2.6115(10), Te---C 2.092(6) and 2.134 (7) ~,, Br--Te--Br 176.59(3), Br--Te--C 88.87(19), 89.0(3), 89.65(19) and 88.2(3), and C-- Te--C 99.7 (3) °. The lattice is formed by hydrogen- bonded centrosymmetric dimers [O...Br = 3.399 (6)A], which, in turn, are linked by the intermolecular sec- ondary Te.-.O bond. Comment Vinylic tellurides are intermediates in the synthesis of vinyllithium compounds, which are, in turn, important intermediates in organic synthesis, either as precursors of the widely used vinylcuprate compounds or as nucleophiles leading to chain-elongation products by © 1998 International Union of Crystallography Printed in Great Britain - all rights reserved Acta Cr3"stallographica Section C ISSN 0108-2701 ©1998