1
$\begingroup$

I am trying to create the molecule of the methylcyclohexane in the equatorial and axial conformers. I read in this site about the chair conformation. My molecule looks like the following picture (created in Molden)

Methylcyclohexane axial conformer

Can someone point out if this is actually good? I am quite doubtful about the "mid" carbons, should they be push to the center of the molecule like in the drawings in the website?

$\endgroup$
  • 2
    $\begingroup$ By the way, if you're just starting out (based on your other question), Avogadro tends to make much better looking graphics than Molden, especially if you combine it with POVRay. If you need lightweight portability, though, you might want to try Jmol instead. $\endgroup$ – Aesin May 20 '13 at 22:08
  • $\begingroup$ @Aesin There is gmolden, which makes nice pictures and the post script of molden is very good. Vectors ftw! $\endgroup$ – Martin - マーチン Jul 9 '15 at 12:30
  • $\begingroup$ If you really want to get a feel for what is sensible and what isn't, you should probably look at the "space filling" version of the model (ie where each atom has a shell around it at the van dear Walls radius). This gives a good idea of any important steric interactions of the sort that skeletal models just miss entirely. $\endgroup$ – matt_black Dec 26 '18 at 16:50
7
$\begingroup$

It's a little hard to tell from this angle, but that looks like a pretty sensible representation of the axial methyl geometry given on the website you linked to.

I'm not entirely sure what you mean by "push to the center of the molecule", though.

ETA: These might help a little more: this isn't exactly the most accurate geometry, but it's a pretty good representation.

$\endgroup$
  • $\begingroup$ What I meant is, if I see from the top the cyclohexane, does the shape is like a "regular hexagon" or like in the image? From side view I learned that carbons are not all in the same plane. $\endgroup$ – BRabbit27 May 21 '13 at 4:58
  • 1
    $\begingroup$ @BRabbit27: Added some pictures that should help: I think there's probably a camera position which would make the shape a regular hexagon (coinciding with the axis of rotational symmetry of the equivalent cyclohexane). $\endgroup$ – Aesin May 21 '13 at 20:18

Your Answer

By clicking “Post Your Answer”, you agree to our terms of service, privacy policy and cookie policy

Not the answer you're looking for? Browse other questions tagged or ask your own question.