TY - JOUR
T1 - The structure of a solution-grown crystal of 1,4-diiodobenzene
AU - Hinchliffe, A.
AU - Munn, R. W.
AU - Pritchard, R. G.
AU - Spicer, C. J.
PY - 1985
Y1 - 1985
N2 - The structure of a solution-grown crystal of 1,4-diiodobenzene has been determined at 293 K. The crystal is orthorhombic, space group Pbca, with c = 16.942(7), b = 7.299(6) and c = 6.160(3) Å, and Z = 4. The structure was refined to R = 0.079 for 408 reflexions with F ≫ 3 σ (F), assuming all carbon atoms equidistant from the ring centre and equal carbon-iodine second neighbour distances. The CI distance was found to be 2.05(1) Å, with CC distances 1.41(1) Å when one carbon atom is bound to iodine cr 1.42(1) Å otherwise. All CCC and CCI angles were 119.8(2)°, implying a 2° deviation from planarity. The structure differs significantly from that determined previously for a melt-grown crystal, which probably contained a proportion of the high-temperature phase obtained above 50°C.
AB - The structure of a solution-grown crystal of 1,4-diiodobenzene has been determined at 293 K. The crystal is orthorhombic, space group Pbca, with c = 16.942(7), b = 7.299(6) and c = 6.160(3) Å, and Z = 4. The structure was refined to R = 0.079 for 408 reflexions with F ≫ 3 σ (F), assuming all carbon atoms equidistant from the ring centre and equal carbon-iodine second neighbour distances. The CI distance was found to be 2.05(1) Å, with CC distances 1.41(1) Å when one carbon atom is bound to iodine cr 1.42(1) Å otherwise. All CCC and CCI angles were 119.8(2)°, implying a 2° deviation from planarity. The structure differs significantly from that determined previously for a melt-grown crystal, which probably contained a proportion of the high-temperature phase obtained above 50°C.
UR - http://www.scopus.com/inward/record.url?scp=0011436838&partnerID=8YFLogxK
U2 - 10.1016/0022-2860(85)85024-9
DO - 10.1016/0022-2860(85)85024-9
M3 - Article
AN - SCOPUS:0011436838
SN - 0022-2860
VL - 130
SP - 93
EP - 96
JO - Journal of Molecular Structure
JF - Journal of Molecular Structure
IS - 1-2
ER -