Structure 2100371

2100368 << 2100371 >> 2100373
Original COD entry Download CIF Download DOT

Citation: Britton, Doyle (2006). 3,5-Dihalo-4-hydroxybenzonitriles: isostructures, polymorphs and solvates. Acta Crystallographica Section B, 62, pp. 109-117.

Formula: C7 H3 I2 N O

Chemical name: 3,5-diiodo-4-hydroxybenzonitrile / polymorph A

Cell parameters:

  • a = 8.648(2) Å
  • b = 9.393(2) Å
  • c = 12.120(2) Å
  • α = 97.320(10)°
  • β = 109.860(10)°
  • γ = 105.590(10)°

List type: interleaving

List: 1D

Combined 3D structure and graph

span 1 {1 1 1}
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Linear Graph Knot

Molecules

CIF datablock 0, entity 1 of 2

Basis: (0;1;1)

Dimensionality: 1

Formula: C42 H18 I12 N6 O6 (C7 H3 I2 N O)

span 1 {1 1 1}

CIF datablock 1, entity 2 of 2

Basis: (0;1;1)

Dimensionality: 1

Formula: C42 H18 I12 N6 O6 (C7 H3 I2 N O)

span 1 {1 1 1}