Structure 7230749

7230734 << 7230749 >> 7230754
Original COD entry Download CIF Download DOT

Citation: Seaton, Colin C.; Thomas, Rayan R.; Essifaow, Eman A. A.; Nauha, Elisa; Munshi, Tasnim; Scowen, Ian J. (2018). Structural motifs in salts of sulfathiazole: implications for design of salt forms in pharmaceuticals APIs. CrystEngComm, 20, pp. 3428-.

Formula: C15 H15 N3 O5 S3

Chemical name: 4-(1,3-thiazol-2(3H)-ylidenesulfamoyl)anilinium benzenesulfonate

Cell parameters:

  • a = 28.4964(13) Å
  • b = 8.1448(3) Å
  • c = 15.5302(7) Å
  • α = 90°
  • β = 90°
  • 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 2

Basis: (0;0;1)

Dimensionality: 1

Formula: C44 H34 O12 S4 (C22 H17 O6 S2)

Multiplicity: 1

span 1 {1 1 1}

CIF datablock 1, entity 2 of 2

Basis: (0;0;1)

Dimensionality: 1

Formula: C44 H34 O12 S4 (C22 H17 O6 S2)

Multiplicity: 1

span 1 {1 1 1}