TY - JOUR
T1 - Isomorphism and pseudosymmetry in 2,6-dichloro-and 2,6-dibromobenzonitrile
AU - Britton, Doyle
AU - Noland, Wayland E
AU - Pinnow, Matthew J.
PY - 2000/10
Y1 - 2000/10
N2 - The title compounds are isomorphous, with two half-molecules in the asymmetric unit of a monoclinic unit cell in the space group C2/m. For the chloro compound: a = 18.0525 (8), b = 20.7374 (10), c = 3.8334 (2) Å, β = 101.143 (1)°; for the bromo compound: a = 18.2269 (15), b = 21.349 (2), c = 3.9663 (3) Å, β = 101.446 (2)°. The dominant intermolecular interactions are between halogen atoms rather than between halogen and nitrile, as is the case in the corresponding 2,4,6-trihalobenzonitriles. The molecules pack into layers with a fourfold pseudosymmetry. The pseudosymmetry appears to be the consequence of halogen-halogen intermolecular interactions.
AB - The title compounds are isomorphous, with two half-molecules in the asymmetric unit of a monoclinic unit cell in the space group C2/m. For the chloro compound: a = 18.0525 (8), b = 20.7374 (10), c = 3.8334 (2) Å, β = 101.143 (1)°; for the bromo compound: a = 18.2269 (15), b = 21.349 (2), c = 3.9663 (3) Å, β = 101.446 (2)°. The dominant intermolecular interactions are between halogen atoms rather than between halogen and nitrile, as is the case in the corresponding 2,4,6-trihalobenzonitriles. The molecules pack into layers with a fourfold pseudosymmetry. The pseudosymmetry appears to be the consequence of halogen-halogen intermolecular interactions.
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U2 - 10.1107/S0108768100003773
DO - 10.1107/S0108768100003773
M3 - Article
C2 - 11006558
AN - SCOPUS:0037741197
SN - 0108-7681
VL - 56
SP - 822
EP - 827
JO - Acta Crystallographica Section B: Structural Science
JF - Acta Crystallographica Section B: Structural Science
IS - 5
ER -