Structure 4116332

4116327 << 4116332 >> 4116333
Original COD entry Download CIF Download DOT

Citation: Srinivasan S. Kuduva; Donald C. Craig; Ashwini Nangia; Gautam R. Desiraju (1999). Cubanecarboxylic Acids. Crystal Engineering Considerations and the Role of C-H...O Hydrogen Bonds in Determining O-H...O Networks. Journal of the American Chemical Society, 121, pp. 1936-1944.

Formula: C9 H7 Br O2

Cell parameters:

  • a = 8.306(3) Å
  • b = 7.261(2) Å
  • c = 14.269(6) Å
  • α = 90.0000°
  • β = 113.13(2)°
  • γ = 90.0000°

List type: interleaving

List: 1D

Combined 3D structure and graph

span 1 {1 1 1}
Ctrl-click to select multiple nodes

JSmol combined CIF view

Linear Graph Knot

Molecules

CIF datablock 0, entity 1 of 2

Basis: (0;1;0)

Dimensionality: 1

Formula: C18 H16 Br2 O4 (C9 H8 Br O2)

Multiplicity: 1

span 1 {1 1 1}

CIF datablock 1, entity 2 of 2

Basis: (0;1;0)

Dimensionality: 1

Formula: C18 H16 Br2 O4 (C9 H8 Br O2)

Multiplicity: 1

span 1 {1 1 1}