Structure 4023264

4023225 << 4023264 >> 4023506
Original COD entry Download CIF Download DOT

Citation: Ahmad Basheer; Zvi Rappoport (2008). A Rich Array of Reactions of Cyanomonothiocarbonylmalonamides RNHCSCH(CN)CONHR' and Their Thioenols RNHC(SH)=C(CN)CONHR'. Journal of Organic Chemistry, 73, pp. 1386-1396.

Formula: C17 H19 N3 O2.25 S2

Chemical name: ?

Cell parameters:

  • a = 8.7559(7) Å
  • b = 14.7605(11) Å
  • c = 15.6666(12) Å
  • α = 64.8590(10)°
  • β = 77.852(2)°
  • γ = 83.937(2)°

List type: noninterleaving

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 1

Basis: (1;0;0)

Dimensionality: 1

Formula: C14 O2 (C7 O)

Multiplicity: 1

Coordination sequences:

  • 1, 2, 4, 4, 5, 4, 5, 4, 2, 4
  • 2, 3, 5, 6, 6, 4, 3, 3, 2, 3
  • 3, 4, 4, 5, 4, 5, 4, 2, 4, 4
  • 4, 4, 4, 2, 3, 3, 4, 5, 6, 4
  • 4, 5, 4, 2, 4, 4, 4, 5, 4, 5
  • 5, 4, 3, 2, 3, 3, 4, 5, 6, 4
  • 6, 3, 2, 4, 2, 2, 4, 6, 6, 6
  • 6, 4, 3, 3, 2, 3, 5, 6, 6, 4
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