Structure 2217823

2217814 << 2217823 >> 2217829
Original COD entry Download CIF Download DOT

Citation: Portalone, Gustavo; Cassetta, Alberto; Colapietro, Marcello; Plattner, Susanne Heidi (2008). (3R,5S)-5(3)-Carboxy-3,4,5,6-tetrahydro-2H-1,4-thiazin-4-ium-3(5)-carboxylate. Acta Crystallographica Section E, 64, pp. o636-.

Formula: C6 H9 N O4 S

Chemical name: (3R,5S)-5(3)-carboxy-3,4,5,6-tetrahydro-2<i>H</i>-1,4-thiazin-4-ium-3(5)-carboxylate

Cell parameters:

  • a = 6.1641(8) Å
  • b = 9.3230(10) Å
  • c = 12.7600(10) Å
  • α = 90.00°
  • β = 90.00°
  • 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 2

Basis: (0;0;1)

Dimensionality: 1

Formula: C12 H18 N2 O8 S2 (C6 H9 N O4 S)

Multiplicity: 1

span 1 {1 1 1}

CIF datablock 1, entity 2 of 2

Basis: (0;0;1)

Dimensionality: 1

Formula: C12 H18 N2 O8 S2 (C6 H9 N O4 S)

Multiplicity: 1

span 1 {1 1 1}