Structure 7225606

7225593 << 7225606 >> 7225607
Original COD entry Download CIF Download DOT

Citation: Mocilac, P.; Osman, I. A.; Gallagher, J. F. (2016). Short C--H⋯F interactions involving the 2,5-difluorobenzene group: understanding the role of fluorine in aggregation and complex C--F/C--H disorder in a 2 \\times 6 isomer grid. CrystEngComm, 18, pp. 5764-.

Formula: C13 H9 F2 N O

Chemical name: (35_F2 or 10-021)

Cell parameters:

  • a = 5.10950(10) Å
  • b = 9.4583(4) Å
  • c = 22.2306(8) Å
  • α = 90°
  • β = 96.284(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 0, entity 1 of 4

Basis: (1;0;0)

Dimensionality: 1

Formula: C26 H18 F4 N2 O2 (C13 H9 F2 N O)

Multiplicity: 1

span 1 {1 1 1}

CIF datablock 1, entity 2 of 4

Basis: (1;0;0)

Dimensionality: 1

Formula: C26 H18 F4 N2 O2 (C13 H9 F2 N O)

Multiplicity: 1

span 1 {1 1 1}

CIF datablock 2, entity 3 of 4

Basis: (1;0;0)

Dimensionality: 1

Formula: C26 H18 F4 N2 O2 (C13 H9 F2 N O)

Multiplicity: 1

span 1 {1 1 1}

CIF datablock 3, entity 4 of 4

Basis: (1;0;0)

Dimensionality: 1

Formula: C26 H18 F4 N2 O2 (C13 H9 F2 N O)

Multiplicity: 1

span 1 {1 1 1}