Structure 7131384

7131381 << 7131384 >> 7131385
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: C16.75 H14.25 N2 O2.5

Chemical name: Carbamazapine-34dihydroxybenzoic acid hydrate cocrystal

Cell parameters:

  • a = 21.0388(2) Å
  • b = 5.22610(10) Å
  • c = 26.3430(4) Å
  • α = 90°
  • β = 102.1200(10)°
  • 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: C7 H9 O6 (C7 H9 O6)

Multiplicity: 1

Coordination sequences:

  • 1, 2, 4, 8, 10, 13, 10, 10, 7, 6
  • 1, 4, 4, 8, 9, 7, 15, 12, 7, 5
  • 1, 5, 7, 8, 8, 12, 14, 8, 6, 5
  • 2, 2, 2, 7, 11, 7, 9, 13, 11, 6
  • 2, 4, 7, 10, 7, 10, 13, 11, 6, 5
  • 3, 3, 7, 11, 7, 9, 13, 11, 6, 5
  • 3, 4, 8, 10, 13, 10, 10, 7, 6, 11
  • 3, 5, 11, 14, 8, 6, 5, 11, 14, 8
  • 3, 6, 8, 9, 7, 15, 12, 7, 5, 5
  • 3, 6, 9, 9, 6, 15, 12, 7, 5, 5
  • 4, 2, 7, 11, 7, 9, 13, 11, 6, 5
  • 4, 8, 8, 14, 11, 6, 9, 7, 12, 10
  • 4, 8, 9, 14, 10, 6, 9, 7, 12, 10
  • 5, 4, 8, 9, 7, 15, 12, 7, 5, 5
  • 5, 5, 15, 13, 7, 5, 5, 15, 12, 7
  • 5, 8, 10, 7, 10, 13, 11, 6, 5, 9
  • 5, 8, 10, 7, 11, 14, 8, 6, 5, 11
  • 5, 8, 11, 7, 9, 13, 11, 6, 5, 9
  • 5, 11, 10, 10, 7, 6, 11, 10, 10, 7
  • 6, 5, 15, 12, 7, 5, 5, 15, 12, 7
  • 6, 7, 8, 8, 12, 14, 8, 6, 5, 11
  • 6, 9, 8, 12, 10, 6, 9, 7, 12, 10
span 1 {1 1 1}

CIF datablock 9, entity 10 of 4

Basis: (0;1;0)

Dimensionality: 1

Formula: C7 H9 O6 (C7 H9 O6)

Multiplicity: 1

Coordination sequences:

  • 1, 2, 4, 8, 10, 13, 10, 10, 7, 6
  • 1, 4, 4, 8, 9, 7, 15, 12, 7, 5
  • 1, 5, 7, 8, 8, 12, 14, 8, 6, 5
  • 2, 2, 2, 7, 11, 7, 9, 13, 11, 6
  • 2, 4, 7, 10, 7, 10, 13, 11, 6, 5
  • 3, 3, 7, 11, 7, 9, 13, 11, 6, 5
  • 3, 4, 8, 10, 13, 10, 10, 7, 6, 11
  • 3, 5, 11, 14, 8, 6, 5, 11, 14, 8
  • 3, 6, 8, 9, 7, 15, 12, 7, 5, 5
  • 3, 6, 9, 9, 6, 15, 12, 7, 5, 5
  • 4, 2, 7, 11, 7, 9, 13, 11, 6, 5
  • 4, 8, 8, 14, 11, 6, 9, 7, 12, 10
  • 4, 8, 9, 14, 10, 6, 9, 7, 12, 10
  • 5, 4, 8, 9, 7, 15, 12, 7, 5, 5
  • 5, 5, 15, 13, 7, 5, 5, 15, 12, 7
  • 5, 8, 10, 7, 10, 13, 11, 6, 5, 9
  • 5, 8, 10, 7, 11, 14, 8, 6, 5, 11
  • 5, 8, 11, 7, 9, 13, 11, 6, 5, 9
  • 5, 11, 10, 10, 7, 6, 11, 10, 10, 7
  • 6, 5, 15, 12, 7, 5, 5, 15, 12, 7
  • 6, 7, 8, 8, 12, 14, 8, 6, 5, 11
  • 6, 9, 8, 12, 10, 6, 9, 7, 12, 10
span 1 {1 1 1}

CIF datablock 10, entity 11 of 4

Basis: (0;1;0)

Dimensionality: 1

Formula: C7 H9 O6 (C7 H9 O6)

Multiplicity: 1

Coordination sequences:

  • 1, 2, 4, 8, 10, 13, 10, 10, 7, 6
  • 1, 4, 4, 8, 9, 7, 15, 12, 7, 5
  • 1, 5, 7, 8, 8, 12, 14, 8, 6, 5
  • 2, 2, 2, 7, 11, 7, 9, 13, 11, 6
  • 2, 4, 7, 10, 7, 10, 13, 11, 6, 5
  • 3, 3, 7, 11, 7, 9, 13, 11, 6, 5
  • 3, 4, 8, 10, 13, 10, 10, 7, 6, 11
  • 3, 5, 11, 14, 8, 6, 5, 11, 14, 8
  • 3, 6, 8, 9, 7, 15, 12, 7, 5, 5
  • 3, 6, 9, 9, 6, 15, 12, 7, 5, 5
  • 4, 2, 7, 11, 7, 9, 13, 11, 6, 5
  • 4, 8, 8, 14, 11, 6, 9, 7, 12, 10
  • 4, 8, 9, 14, 10, 6, 9, 7, 12, 10
  • 5, 4, 8, 9, 7, 15, 12, 7, 5, 5
  • 5, 5, 15, 13, 7, 5, 5, 15, 12, 7
  • 5, 8, 10, 7, 10, 13, 11, 6, 5, 9
  • 5, 8, 10, 7, 11, 14, 8, 6, 5, 11
  • 5, 8, 11, 7, 9, 13, 11, 6, 5, 9
  • 5, 11, 10, 10, 7, 6, 11, 10, 10, 7
  • 6, 5, 15, 12, 7, 5, 5, 15, 12, 7
  • 6, 7, 8, 8, 12, 14, 8, 6, 5, 11
  • 6, 9, 8, 12, 10, 6, 9, 7, 12, 10
span 1 {1 1 1}

CIF datablock 11, entity 12 of 4

Basis: (0;1;0)

Dimensionality: 1

Formula: C7 H9 O6 (C7 H9 O6)

Multiplicity: 1

Coordination sequences:

  • 1, 2, 4, 8, 10, 13, 10, 10, 7, 6
  • 1, 4, 4, 8, 9, 7, 15, 12, 7, 5
  • 1, 5, 7, 8, 8, 12, 14, 8, 6, 5
  • 2, 2, 2, 7, 11, 7, 9, 13, 11, 6
  • 2, 4, 7, 10, 7, 10, 13, 11, 6, 5
  • 3, 3, 7, 11, 7, 9, 13, 11, 6, 5
  • 3, 4, 8, 10, 13, 10, 10, 7, 6, 11
  • 3, 5, 11, 14, 8, 6, 5, 11, 14, 8
  • 3, 6, 8, 9, 7, 15, 12, 7, 5, 5
  • 3, 6, 9, 9, 6, 15, 12, 7, 5, 5
  • 4, 2, 7, 11, 7, 9, 13, 11, 6, 5
  • 4, 8, 8, 14, 11, 6, 9, 7, 12, 10
  • 4, 8, 9, 14, 10, 6, 9, 7, 12, 10
  • 5, 4, 8, 9, 7, 15, 12, 7, 5, 5
  • 5, 5, 15, 13, 7, 5, 5, 15, 12, 7
  • 5, 8, 10, 7, 10, 13, 11, 6, 5, 9
  • 5, 8, 10, 7, 11, 14, 8, 6, 5, 11
  • 5, 8, 11, 7, 9, 13, 11, 6, 5, 9
  • 5, 11, 10, 10, 7, 6, 11, 10, 10, 7
  • 6, 5, 15, 12, 7, 5, 5, 15, 12, 7
  • 6, 7, 8, 8, 12, 14, 8, 6, 5, 11
  • 6, 9, 8, 12, 10, 6, 9, 7, 12, 10
span 1 {1 1 1}