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, β=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, β=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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Britton, D. Crystal structures of p-chloro- and p-bromobenzaldehyde. J Chem Crystallogr 24, 553–556 (1994). https://doi.org/10.1007/BF01666736
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DOI: https://doi.org/10.1007/BF01666736