Structure 2102637

2102630 << 2102637 >> 2102652
Original COD entry Download CIF Download DOT

Citation: Langkilde, A.; Madsen, D.; Larsen, S. (2004). Structures of three salts of phthalic acid; variation in crystal packing and geometry of the hydrogen phthalate ion. Acta Crystallographica Section B, 60, pp. 502-511.

Formula: C12 H17 N O4

Chemical name: Diethylammonium hydrogen phthalate

Cell parameters:

  • a = 23.289(5) Å
  • b = 10.279(3) Å
  • c = 15.298(2) Å
  • α = 90.00°
  • β = 93.80(2)°
  • γ = 90.00°

List type: interleaving

List: 1D

Combined 3D structure and graph

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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 H10 O8 (C8 H5 O4)

Multiplicity: 1

Coordination sequences:

  • 1, 2, 3, 5, 6, 4, 3, 5, 7, 4
  • 1, 2, 4, 3, 3, 3, 2, 2, 3, 4
  • 1, 2, 4, 5, 4, 2, 2, 3, 4, 6
  • 2, 2, 4, 4, 8, 10, 4, 2, 2, 4
  • 2, 3, 3, 6, 7, 6, 6, 3, 3, 3
  • 3, 3, 5, 6, 4, 3, 5, 7, 4, 5
  • 3, 4, 3, 3, 3, 2, 2, 3, 4, 6
  • 3, 4, 5, 4, 2, 2, 3, 4, 6, 9
  • 3, 6, 6, 3, 2, 3, 4, 6, 9, 7
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CIF datablock 1, entity 2 of 2

Basis: (0;1;0)

Dimensionality: 1

Formula: C16 H10 O8 (C8 H5 O4)

Multiplicity: 1

Coordination sequences:

  • 1, 2, 3, 5, 6, 4, 3, 5, 7, 4
  • 1, 2, 4, 3, 3, 3, 2, 2, 3, 4
  • 1, 2, 4, 5, 4, 2, 2, 3, 4, 6
  • 2, 2, 4, 4, 8, 10, 4, 2, 2, 4
  • 2, 3, 3, 6, 7, 6, 6, 3, 3, 3
  • 3, 3, 5, 6, 4, 3, 5, 7, 4, 5
  • 3, 4, 3, 3, 3, 2, 2, 3, 4, 6
  • 3, 4, 5, 4, 2, 2, 3, 4, 6, 9
  • 3, 6, 6, 3, 2, 3, 4, 6, 9, 7
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