Structure 2235924

2235858 << 2235924 >> 2235940
Original COD entry Download CIF Download DOT

Citation: Xu, Wei; Qi, Jin-Li (2012). 4-[3-(Pyridin-4-yl)propyl]pyridinium 2-carboxybenzoate. Acta Crystallographica Section E, 68, pp. o2319-.

Formula: C21 H20 N2 O4

Chemical name: 4-[3-(Pyridin-4-yl)propyl]pyridinium 2-carboxybenzoate

Cell parameters:

  • a = 7.5950(15) Å
  • b = 12.822(3) Å
  • c = 17.340(4) Å
  • α = 90.00°
  • β = 90.00°
  • γ = 90.00°

List type: interleaving

List: 1D

Combined 3D structure and graph

span 1 {1 1 1}
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JSmol combined CIF view

Linear Graph Knot

Molecules

CIF datablock 0, entity 1 of 2

Basis: (0;1;0)

Dimensionality: 1

Formula: C16 H12 O8 (C4 H3 O2)

Multiplicity: 1

Coordination sequences:

  • 1, 2, 3, 5, 6, 3, 3, 3, 5, 7
  • 1, 2, 4, 3, 3, 3, 2, 2, 2, 3
  • 1, 2, 4, 5, 4, 2, 2, 2, 3, 4
  • 2, 2, 3, 4, 6, 9, 7, 3, 2, 2
  • 2, 3, 3, 5, 7, 4, 5, 6, 3, 3
  • 3, 3, 5, 6, 3, 3, 3, 5, 7, 4
  • 3, 4, 3, 3, 3, 2, 2, 2, 3, 4
  • 3, 4, 5, 4, 2, 2, 2, 3, 4, 6
  • 3, 6, 6, 3, 2, 2, 3, 4, 6, 9
span 1 {1 1 1}

CIF datablock 1, entity 2 of 2

Basis: (0;1;0)

Dimensionality: 1

Formula: C16 H12 O8 (C4 H3 O2)

Multiplicity: 1

Coordination sequences:

  • 1, 2, 3, 5, 6, 3, 3, 3, 5, 7
  • 1, 2, 4, 3, 3, 3, 2, 2, 2, 3
  • 1, 2, 4, 5, 4, 2, 2, 2, 3, 4
  • 2, 2, 3, 4, 6, 9, 7, 3, 2, 2
  • 2, 3, 3, 5, 7, 4, 5, 6, 3, 3
  • 3, 3, 5, 6, 3, 3, 3, 5, 7, 4
  • 3, 4, 3, 3, 3, 2, 2, 2, 3, 4
  • 3, 4, 5, 4, 2, 2, 2, 3, 4, 6
  • 3, 6, 6, 3, 2, 2, 3, 4, 6, 9
span 1 {1 1 1}