Structure 7057680

7057662 << 7057680 >> 7057689
Original COD entry Download CIF Download DOT

Citation: Castells-Gil, Javier; Padial, Natalia M.; Mart\'i-Gastaldo, Carlos (2018). Structural reorganization in a hydrogen-bonded organic framework. New Journal of Chemistry, 42, pp. 16138-.

Formula: C10 H12 N2 O4

Cell parameters:

  • a = 6.1091(3) Å
  • b = 8.2810(6) Å
  • c = 11.0256(7) Å
  • α = 74.836(6)°
  • β = 87.904(5)°
  • γ = 88.263(5)°

List type: noninterleaving

List: 2D

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 1

Basis: (1;0;-1 0;1;2)

Dimensionality: 2

Formula: C16 H8 N2 O8 (C8 H4 N O4)

Coordination sequences:

  • 1, 2, 3, 5, 4, 6, 4, 7, 8, 9
  • 1, 2, 4, 6, 3, 5, 6, 6, 8, 8
  • 1, 2, 4, 7, 3, 3, 3, 6, 8, 11
  • 2, 2, 4, 4, 8, 6, 8, 4, 6, 10
  • 2, 3, 3, 6, 5, 8, 5, 7, 7, 8
  • 2, 3, 6, 7, 8, 7, 4, 4, 6, 8
  • 3, 3, 5, 4, 6, 4, 7, 8, 9, 9
  • 3, 4, 6, 3, 5, 6, 6, 8, 8, 7
  • 3, 4, 7, 3, 3, 3, 6, 8, 11, 11
  • 3, 5, 4, 7, 6, 5, 7, 6, 6, 10
  • 3, 6, 4, 5, 3, 5, 7, 9, 10, 10
span 1 {1 1 1}