Structure 2300547

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Original COD entry Download CIF Download DOT

Citation: Arakcheeva, Alla; Pattison, Philip; Bauer-Brandl, Annette; Birkedal, Henrik; Chapuis, Gervais (2013). Cimetidine, C10H16N6S, form C: crystal structure and modelling of polytypes using the superspace approach. Journal of Applied Crystallography, 46, pp. 99-.

Formula: C10 H16 N6 S

Chemical name: N-Cyano-N'-methyl-N''-[2-((4-methyl-5-imidazolyl)-methylthio)ethyl]guanidine

Cell parameters:

  • a = 13.817(1) Å
  • b = 4.850(1) Å
  • c = 18.760(5) Å
  • α = 90°
  • β = 74.340(19)°
  • 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 4

Basis: (0;1;0)

Dimensionality: 1

Formula: C20 H32 N12 S2 (C10 H16 N6 S)

Multiplicity: 1

span 1 {1 1 1}

CIF datablock 1, entity 2 of 4

Basis: (0;1;0)

Dimensionality: 1

Formula: C20 H32 N12 S2 (C10 H16 N6 S)

Multiplicity: 1

span 1 {1 1 1}

CIF datablock 2, entity 3 of 4

Basis: (0;1;0)

Dimensionality: 1

Formula: C20 H32 N12 S2 (C10 H16 N6 S)

Multiplicity: 1

span 1 {1 1 1}

CIF datablock 3, entity 4 of 4

Basis: (0;1;0)

Dimensionality: 1

Formula: C20 H32 N12 S2 (C10 H16 N6 S)

Multiplicity: 1

span 1 {1 1 1}