Structure 2311830

2311799 << 2311830 >> 2311846
Original COD entry Download CIF Download DOT

Citation: Buist, Amanda R.; Dennany, Lynn; Kennedy, Alan R.; Manzie, Craig; McPhie, Katherine; Walker, Brandon (2014). Eight salt forms of sulfadiazine.. Acta crystallographica. Section C, Structural chemistry, 70, pp. 900-907.

Formula: C10 H13 Br N4 O3 S

Chemical name: 2-{[(4-Azaniumylphenyl)sulfonyl]azanidyl}pyrimidin-1-ium bromide monohydrate

Cell parameters:

  • a = 11.9420(3) Å
  • b = 5.6295(2) Å
  • c = 21.0659(6) Å
  • α = 90.00°
  • β = 98.380(3)°
  • γ = 90.00°

List type: interleaving

List: 1D

Combined 3D structure and graph

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JSmol combined CIF view

Linear Graph Knot

Molecules

CIF datablock 4, entity 5 of 2

Basis: (0;1;0)

Dimensionality: 1

Formula: H4 O8 (H O2)

Multiplicity: 1

Coordination sequences:

  • 2, 3, 2, 4, 5, 3, 4, 5, 3, 4
  • 2, 6, 4, 2, 6, 4, 2, 6, 4, 2
  • 4, 2, 2, 6, 4, 2, 6, 4, 2, 6
  • 4, 3, 4, 5, 3, 4, 5, 3, 4, 5
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CIF datablock 5, entity 6 of 2

Basis: (0;1;0)

Dimensionality: 1

Formula: H4 O8 (H O2)

Multiplicity: 1

Coordination sequences:

  • 2, 3, 2, 4, 5, 3, 4, 5, 3, 4
  • 2, 6, 4, 2, 6, 4, 2, 6, 4, 2
  • 4, 2, 2, 6, 4, 2, 6, 4, 2, 6
  • 4, 3, 4, 5, 3, 4, 5, 3, 4, 5
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