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>