C5H11ISi-1

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1-iodo-1-silacyclohexane

Structure

GED

Experimental structure <bib id="BelyakovJMS2012" /> of axial (73(7)%) conformer (ra bonds, rh1 angles):

<jmol>

<jmolApplet>
 <inlineContents>mol
OpenBabel02051311543D

0

18 18  0  0  0  0  0  0  0  0999 V2000
  -0.8669    0.0000    0.7260 Si  0  0  0  0  0  0  0  0  0  0  0  0
   0.0000   -1.4874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   1.5198   -1.2686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   1.9672    0.0000   -0.7260 C   0  0  0  0  0  0  0  0  0  0  0  0
   1.5198    1.2686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   0.0000    1.4874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -0.5710    0.0000    3.1662 I   0  0  0  0  0  0  0  0  0  0  0  0
  -2.3242    0.0000    0.4694 H   0  0  0  0  0  0  0  0  0  0  0  0
   1.5714    0.0000   -1.7436 H   0  0  0  0  0  0  0  0  0  0  0  0
   3.0558    0.0000   -0.8108 H   0  0  0  0  0  0  0  0  0  0  0  0
  -0.2690   -2.4021    0.5321 H   0  0  0  0  0  0  0  0  0  0  0  0
  -0.3513   -1.6048   -1.0271 H   0  0  0  0  0  0  0  0  0  0  0  0
   2.0129   -2.1358   -0.4440 H   0  0  0  0  0  0  0  0  0  0  0  0
   1.8774   -1.1947    1.0290 H   0  0  0  0  0  0  0  0  0  0  0  0
  -0.2690    2.4021    0.5321 H   0  0  0  0  0  0  0  0  0  0  0  0
  -0.3513    1.6048   -1.0271 H   0  0  0  0  0  0  0  0  0  0  0  0
   2.0129    2.1358   -0.4440 H   0  0  0  0  0  0  0  0  0  0  0  0
   1.8774    1.1947    1.0290 H   0  0  0  0  0  0  0  0  0  0  0  0
 1  7  1  0  0  0  0
 2  3  1  0  0  0  0
 2 11  1  0  0  0  0
 2  1  1  0  0  0  0
 3 14  1  0  0  0  0
 4  3  1  0  0  0  0
 4  5  1  0  0  0  0
 5  6  1  0  0  0  0
 5 18  1  0  0  0  0
 6 15  1  0  0  0  0
 6  1  1  0  0  0  0
 8  1  1  0  0  0  0
 9  4  1  0  0  0  0
10  4  1  0  0  0  0
12  2  1  0  0  0  0
13  3  1  0  0  0  0
16  6  1  0  0  0  0
17  5  1  0  0  0  0
 </inlineContents>
</jmolApplet>

</jmol>

Experimental structure <bib id="BelyakovJMS2012" /> of equatorial (27(7)%) conformer (ra bonds, rh1 angles):

<jmol>

<jmolApplet>
 <inlineContents>mol
OpenBabel02051311553D

0

18 18  0  0  0  0  0  0  0  0999 V2000
  -0.8237    0.0000    0.7747 Si  0  0  0  0  0  0  0  0  0  0  0  0
   0.0000   -1.4874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   1.5198   -1.2686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   1.9672    0.0000   -0.7260 C   0  0  0  0  0  0  0  0  0  0  0  0
   1.5198    1.2686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   0.0000    1.4874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -3.2341    0.0000    0.3513 I   0  0  0  0  0  0  0  0  0  0  0  0
  -0.6450    0.0000    2.2436 H   0  0  0  0  0  0  0  0  0  0  0  0
   1.5714    0.0000   -1.7436 H   0  0  0  0  0  0  0  0  0  0  0  0
   3.0558    0.0000   -0.8108 H   0  0  0  0  0  0  0  0  0  0  0  0
  -0.2683   -2.4071    0.5239 H   0  0  0  0  0  0  0  0  0  0  0  0
  -0.3527   -1.5952   -1.0277 H   0  0  0  0  0  0  0  0  0  0  0  0
   2.0129   -2.1358   -0.4440 H   0  0  0  0  0  0  0  0  0  0  0  0
   1.8774   -1.1947    1.0290 H   0  0  0  0  0  0  0  0  0  0  0  0
  -0.2683    2.4071    0.5239 H   0  0  0  0  0  0  0  0  0  0  0  0
  -0.3527    1.5952   -1.0277 H   0  0  0  0  0  0  0  0  0  0  0  0
   2.0129    2.1358   -0.4440 H   0  0  0  0  0  0  0  0  0  0  0  0
   1.8774    1.1947    1.0290 H   0  0  0  0  0  0  0  0  0  0  0  0
 1  8  1  0  0  0  0
 2  3  1  0  0  0  0
 2 11  1  0  0  0  0
 2  1  1  0  0  0  0
 3 14  1  0  0  0  0
 4  3  1  0  0  0  0
 4  5  1  0  0  0  0
 5  6  1  0  0  0  0
 5 18  1  0  0  0  0
 6 15  1  0  0  0  0
 6  1  1  0  0  0  0
 7  1  1  0  0  0  0
 9  4  1  0  0  0  0
10  4  1  0  0  0  0
12  2  1  0  0  0  0
13  3  1  0  0  0  0
16  6  1  0  0  0  0
17  5  1  0  0  0  0
 </inlineContents>
</jmolApplet>

</jmol>