Structure 2013201

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Citation: Glidewell, Christopher; Low, John N.; Melguizo, Manuel; Quesada, Antonio (2003). Hydrogen bonding in nitroaniline analogues: a hydrogen-bonded chain of rings in 2-amino-4-butylamino-6-methoxy-5-nitropyrimidine. Acta Crystallographica Section C, 59, pp. o19-o21.

Formula: C9 H15 N5 O3

Chemical name: 2-Amino-4-butylamino-6-methoxy-5-nitropyrimidine

Cell parameters:

  • a = 20.5825(13) Å
  • b = 8.8102(4) Å
  • c = 13.0289(11) Å
  • α = 90°
  • β = 109.810(3)°
  • γ = 90°

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 8

Basis: (0;1;0)

Dimensionality: 1

Formula: C18 H30 N10 O6 (C9 H15 N5 O3)

Multiplicity: 1

span 1 {1 1 1}

CIF datablock 1, entity 2 of 8

Basis: (0;1;0)

Dimensionality: 1

Formula: C18 H30 N10 O6 (C9 H15 N5 O3)

Multiplicity: 1

span 1 {1 1 1}

CIF datablock 2, entity 3 of 8

Basis: (0;1;0)

Dimensionality: 1

Formula: C18 H30 N10 O6 (C9 H15 N5 O3)

Multiplicity: 1

span 1 {1 1 1}

CIF datablock 3, entity 4 of 8

Basis: (0;1;0)

Dimensionality: 1

Formula: C18 H30 N10 O6 (C9 H15 N5 O3)

Multiplicity: 1

span 1 {1 1 1}

CIF datablock 4, entity 5 of 8

Basis: (0;1;0)

Dimensionality: 1

Formula: C18 H30 N10 O6 (C9 H15 N5 O3)

Multiplicity: 1

span 1 {1 1 1}

CIF datablock 5, entity 6 of 8

Basis: (0;1;0)

Dimensionality: 1

Formula: C18 H30 N10 O6 (C9 H15 N5 O3)

Multiplicity: 1

span 1 {1 1 1}

CIF datablock 6, entity 7 of 8

Basis: (0;1;0)

Dimensionality: 1

Formula: C18 H30 N10 O6 (C9 H15 N5 O3)

Multiplicity: 1

span 1 {1 1 1}

CIF datablock 7, entity 8 of 8

Basis: (0;1;0)

Dimensionality: 1

Formula: C18 H30 N10 O6 (C9 H15 N5 O3)

Multiplicity: 1

span 1 {1 1 1}