Crystal structures of p-chloro- and p-bromobenzaldehyde |
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Authors: | Doyle Britton |
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Institution: | (1) Department of Chemistry, University of Minnesota, 55455 Minneapolis, Minnesota |
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Abstract: | p-Chloro- and p-bromobenzaldehyde form isomorphous monoclinic crystals, space groupP2
1/a. For p-Cl at –96°C,a=12.945(3),b=3.833(3),c=26.503(9) Å, =103.68(2)°,Z=8,V=1278(2) Å3,Dx=1.461(2) g cm–3, refinement on 2714 reflections,R=0.047. For p-Br at –96°C,a=12.754(5),b=3.919(3),c=27.317(12) Å, =103.28(3)°,Z=8,V=1329(2) Å3,Dx=1.849(3) g cm–3, refinement on 1519 reflections,R=0.062. The molecules do not differ significantly from planarity. They pack in stacks with Cl...Cl or Br...Br contacts at one end and CH...O contacts that are suggestive of hydrogen bonds at the other. There are no O...Cl or O...Br contacts. |
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Keywords: | p-Chlorobenzaldehyde p-bromobenzaldehyde Lewis acid-base interactions |
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