Structure 2243973

2243970 << 2243973 >> 2243989
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Citation: Shyshkina, Mariia O.; Shishkina, Svitlana V.; Ostras, Konstantin S.; Gorobets, Nikolay Yu.; Chebanov, Valentyn A.; Desenko, Sergey M. (2021). The first coordination complex of (5R,6R,7S)-5-(furan-2-yl)-7-phenyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-6-amine with zinc(II) acetate-chloride. Acta Crystallographica Section E, 77, pp. 1323-1326.

Formula: C17 H20 Cl N5 O4 Zn

Chemical name: <i>catena</i>-Poly[[[acetatochloridozinc(II)]-\m-(5<i>R</i>,6<i>R</i>,7<i>S</i>)-5-(furan-2-yl)-7-phenyl-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-<i>a</i>]pyrimidin-6-amine] monohydrate]

Cell parameters:

  • a = 10.6267(4) Å
  • b = 12.8015(5) Å
  • c = 15.1646(7) Å
  • α = 90°
  • β = 104.788(4)°
  • γ = 90°

List type: interleaving

List: 1D

Combined 3D structure and graph

span 1 {1 1 1}
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Linear Graph Knot

Molecules

CIF datablock 0, entity 1 of 2

Basis: (0;1;0)

Dimensionality: 1

Formula: C42 H42 Cl2 N10 O8 Zn2 (C21 H21 Cl N5 O4 Zn)

Multiplicity: 1

span 1 {1 1 1}

CIF datablock 1, entity 2 of 2

Basis: (0;1;0)

Dimensionality: 1

Formula: C42 H42 Cl2 N10 O8 Zn2 (C21 H21 Cl N5 O4 Zn)

Multiplicity: 1

span 1 {1 1 1}