Structure 2019106

2019098 << 2019106 >> 2019107
Original COD entry Download CIF Download DOT

Citation: Sathya, D.; Jagan, R.; Padmavathy, R.; Kumar, R. Mohan; Sivakumar, K. (2013). N---H···O, O---H···O hydrogen-bonded supramolecular sheet formation in the bis(2-aminoanilinium) fumarate, 3-methylanilinium hydrogen fumarate and 4-chloroanilinium hydrogen fumarate salts. Acta Crystallographica Section C, 69, pp. 904-909.

Formula: C11 H13 N O4

Chemical name: 3-Methylanilinium hydrogen fumarate

Cell parameters:

  • a = 9.4576(3) Å
  • b = 20.8915(6) Å
  • c = 10.8787(3) Å
  • α = 90.00°
  • β = 92.611(2)°
  • 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 4

Basis: (1;0;-1)

Dimensionality: 1

Formula: C8 H8 O8 (C H O)

Multiplicity: 1

span 1 {1 1 1}

CIF datablock 1, entity 2 of 4

Basis: (1;0;-1)

Dimensionality: 1

Formula: C8 H8 O8 (C H O)

Multiplicity: 1

span 1 {1 1 1}

CIF datablock 2, entity 3 of 4

Basis: (1;0;-1)

Dimensionality: 1

Formula: C8 H8 O8 (C H O)

Multiplicity: 1

Coordination sequences:

  • 1, 2, 3, 3, 3, 2, 3, 3, 3, 4
  • 1, 2, 4, 3, 2, 2, 2, 3, 4, 4
  • 2, 2, 3, 4, 4, 4, 3, 2, 2, 2
  • 2, 3, 3, 3, 4, 3, 3, 3, 2, 3
  • 3, 3, 3, 3, 2, 3, 3, 3, 4, 3
  • 3, 4, 3, 2, 2, 2, 3, 4, 4, 4
span 1 {1 1 1}

CIF datablock 3, entity 4 of 4

Basis: (1;0;-1)

Dimensionality: 1

Formula: C8 H8 O8 (C H O)

Multiplicity: 1

Coordination sequences:

  • 1, 2, 3, 3, 3, 2, 3, 3, 3, 4
  • 1, 2, 4, 3, 2, 2, 2, 3, 4, 4
  • 2, 2, 3, 4, 4, 4, 3, 2, 2, 2
  • 2, 3, 3, 3, 4, 3, 3, 3, 2, 3
  • 3, 3, 3, 3, 2, 3, 3, 3, 4, 3
  • 3, 4, 3, 2, 2, 2, 3, 4, 4, 4
span 1 {1 1 1}