Structure 4516507

4516499 << 4516507 >> 4516536
Original COD entry Download CIF Download DOT

Citation: Loots, Leigh; O’ Connor, James P.; le Roex, Tanya; Haynes, Delia A. (2015). Solid-State Supramolecular Chemistry of a Benzylpyridine-Functionalized Zwitterion: Polymorphism, Interconversion, and Porosity. Crystal Growth & Design, 15, pp. 5849-.

Formula: C16.25 H14.25 N O4.25

Chemical name: '(2Z)-2-(4-benzylpyridinium-1-yl-3-carboxy-1-hydroxyprop-2-en-1-olateMethanol solvate'

Cell parameters:

  • a = 13.9350(10) Å
  • b = 7.4100(5) Å
  • c = 14.5320(11) Å
  • α = 90°
  • β = 97.0660(10)°
  • γ = 90°

List type: interleaving

List: 1D

Combined 3D structure and graph

span 1 {1 1 1}
Ctrl-click to select multiple nodes

JSmol combined CIF view

Linear Graph Knot

Molecules

CIF datablock 0, entity 1 of 4

Basis: (0;1;0)

Dimensionality: 1

Formula: C24 H21 N O4 (C24 H21 N O4)

Multiplicity: 1

span 1 {1 1 1}

CIF datablock 1, entity 2 of 4

Basis: (0;1;0)

Dimensionality: 1

Formula: C24 H21 N O4 (C24 H21 N O4)

Multiplicity: 1

span 1 {1 1 1}

CIF datablock 2, entity 3 of 4

Basis: (0;1;0)

Dimensionality: 1

Formula: C24 H21 N O4 (C24 H21 N O4)

Multiplicity: 1

span 1 {1 1 1}

CIF datablock 3, entity 4 of 4

Basis: (0;1;0)

Dimensionality: 1

Formula: C24 H21 N O4 (C24 H21 N O4)

Multiplicity: 1

span 1 {1 1 1}