Structure 7131385

7131384 << 7131385 >> 7131386
Original COD entry Download CIF Download DOT

Citation: Rajbongshi, Trishna; Sarmah, Kashyap Kumar; Das, Susobhan; Deka, Poonam; Saha, Arijit; Saha, Binoy K.; Puschmann, Horst; Reddy, C. Malla; Thakuria, Ranjit (2023). Non-stoichiometric carbamazepine cocrystal hydrates of 3,4-/3,5-dihydroxybenzoic acids: coformer-water exchange.. Chemical communications (Cambridge, England), 59, pp. 3902-3905.

Formula: C8.2 H7.1 N O1.3

Chemical name: Carbamazapine-35dihydroxybenzoic acid hydrate cocrystal

Cell parameters:

  • a = 21.29468(18) Å
  • b = 5.12107(5) Å
  • c = 26.6635(2) Å
  • α = 90°
  • β = 103.5459(9)°
  • γ = 90°

List type: interleaving

List: 1D

Combined 3D structure and graph

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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: C7 H3 O4 (C7 H3 O4)

Multiplicity: 1

Coordination sequences:

  • 1, 2, 5, 9, 6, 4, 7, 6, 6, 5
  • 2, 3, 6, 5, 9, 9, 4, 4, 3, 8
  • 2, 4, 5, 5, 9, 9, 4, 4, 3, 8
  • 3, 5, 5, 7, 6, 6, 5, 4, 7, 6
  • 3, 5, 9, 6, 4, 7, 6, 6, 5, 4
  • 3, 8, 9, 4, 4, 3, 8, 9, 4, 4
  • 4, 5, 6, 6, 9, 6, 3, 5, 5, 9
  • 4, 6, 4, 7, 8, 7, 5, 2, 6, 8
  • 5, 4, 6, 6, 9, 6, 3, 5, 5, 9
  • 5, 6, 6, 8, 3, 5, 6, 6, 8, 3
  • 6, 5, 5, 5, 9, 6, 3, 5, 5, 9
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CIF datablock 9, entity 10 of 4

Basis: (0;1;0)

Dimensionality: 1

Formula: C7 H3 O4 (C7 H3 O4)

Multiplicity: 1

Coordination sequences:

  • 1, 2, 5, 9, 6, 4, 7, 6, 6, 5
  • 2, 3, 6, 5, 9, 9, 4, 4, 3, 8
  • 2, 4, 5, 5, 9, 9, 4, 4, 3, 8
  • 3, 5, 5, 7, 6, 6, 5, 4, 7, 6
  • 3, 5, 9, 6, 4, 7, 6, 6, 5, 4
  • 3, 8, 9, 4, 4, 3, 8, 9, 4, 4
  • 4, 5, 6, 6, 9, 6, 3, 5, 5, 9
  • 4, 6, 4, 7, 8, 7, 5, 2, 6, 8
  • 5, 4, 6, 6, 9, 6, 3, 5, 5, 9
  • 5, 6, 6, 8, 3, 5, 6, 6, 8, 3
  • 6, 5, 5, 5, 9, 6, 3, 5, 5, 9
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CIF datablock 10, entity 11 of 4

Basis: (0;1;0)

Dimensionality: 1

Formula: C7 H3 O4 (C7 H3 O4)

Multiplicity: 1

Coordination sequences:

  • 1, 2, 5, 9, 6, 4, 7, 6, 6, 5
  • 2, 3, 6, 5, 9, 9, 4, 4, 3, 8
  • 2, 4, 5, 5, 9, 9, 4, 4, 3, 8
  • 3, 5, 5, 7, 6, 6, 5, 4, 7, 6
  • 3, 5, 9, 6, 4, 7, 6, 6, 5, 4
  • 3, 8, 9, 4, 4, 3, 8, 9, 4, 4
  • 4, 5, 6, 6, 9, 6, 3, 5, 5, 9
  • 4, 6, 4, 7, 8, 7, 5, 2, 6, 8
  • 5, 4, 6, 6, 9, 6, 3, 5, 5, 9
  • 5, 6, 6, 8, 3, 5, 6, 6, 8, 3
  • 6, 5, 5, 5, 9, 6, 3, 5, 5, 9
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CIF datablock 11, entity 12 of 4

Basis: (0;1;0)

Dimensionality: 1

Formula: C7 H3 O4 (C7 H3 O4)

Multiplicity: 1

Coordination sequences:

  • 1, 2, 5, 9, 6, 4, 7, 6, 6, 5
  • 2, 3, 6, 5, 9, 9, 4, 4, 3, 8
  • 2, 4, 5, 5, 9, 9, 4, 4, 3, 8
  • 3, 5, 5, 7, 6, 6, 5, 4, 7, 6
  • 3, 5, 9, 6, 4, 7, 6, 6, 5, 4
  • 3, 8, 9, 4, 4, 3, 8, 9, 4, 4
  • 4, 5, 6, 6, 9, 6, 3, 5, 5, 9
  • 4, 6, 4, 7, 8, 7, 5, 2, 6, 8
  • 5, 4, 6, 6, 9, 6, 3, 5, 5, 9
  • 5, 6, 6, 8, 3, 5, 6, 6, 8, 3
  • 6, 5, 5, 5, 9, 6, 3, 5, 5, 9
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