Structure 2021408

2021407 << 2021408 >> 2021417
Original COD entry Download CIF Download DOT

Citation: Laos, Roberto; Lampropoulos, Christos; Benner, Steven A. (2019). The surprising pairing of 2-aminoimidazo[1,2-a][1,3,5]triazin-4-one, a component of an expanded DNA alphabet. Acta Crystallographica Section C, 75, pp. 22-28.

Formula: C5 H7 N5 O2

Chemical name: 2-Aminoimidazo[1,2-<i>a</i>][1,3,5]triazin-4(3<i>H</i>)-one monohydrate

Cell parameters:

  • a = 16.357(13) Å
  • b = 3.712(3) Å
  • c = 22.723(19) Å
  • α = 90°
  • β = 101.72(3)°
  • 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 8, entity 9 of 4

Basis: (0;1;0)

Dimensionality: 1

Formula: H8 O4 (H2 O)

Multiplicity: 1

span 1 {1 1 1}

CIF datablock 9, entity 10 of 4

Basis: (0;1;0)

Dimensionality: 1

Formula: H8 O4 (H2 O)

Multiplicity: 1

span 1 {1 1 1}

CIF datablock 10, entity 11 of 4

Basis: (0;1;0)

Dimensionality: 1

Formula: H8 O4 (H2 O)

Multiplicity: 1

span 1 {1 1 1}

CIF datablock 11, entity 12 of 4

Basis: (0;1;0)

Dimensionality: 1

Formula: H8 O4 (H2 O)

Multiplicity: 1

span 1 {1 1 1}