Triclinic form of tetraaqua(orotato-N,O)-magnesium(II) hydrate at 153K

Ilpo Mutikainen; Reijo Hämäläinen; Martti Klinga; Olli Orama; Urho Turpeinen

doi:10.1107/S0108270196006567

Triclinic form of tetraaqua(orotato-N,O)-magnesium(II) hydrate at 153K

Ilpo Mutikainen, Reijo Hämäläinen, Martti Klinga, Olli Orama, Urho Turpeinen

VTT Technical Research Centre of Finland

Research output: Contribution to journal › Article › Scientific › peer-review

36 Citations (Scopus)

Abstract

In the title complex, Mg(C₅H₂N₂O₄)(H₂O)₄].H₂O, orotic acid (uracil-6-carboxylic acid or 1,2,3,6-tetrahydro-2,6-dioxo-4-pyrimidinecarboxylic acid) coordinates to Mg through the deprotonated heterocyclic N1 atom and the O atom of the adjacent carboxylate group. The coordination sphere of the Mg atom is octahedral with water molecules occupying the four remaining coordination positions. The bond lengths in the coordination sphere are in the range 2.0128 (13) to 2.1295 (13) Å for the Mg-O bonds and 2.1663 (14) Å for the Mg-N bond. The C=O bond lengths for the exocyclic O2 and O4 atoms of the orotato ligand are 1.247 (2) and 1.249 (2) Å, respectively.

Original language	English
Pages (from-to)	2480-2482
Journal	Acta Crystallographica Section C: Crystal Structure Communications
Volume	C52
DOIs	https://doi.org/10.1107/S0108270196006567
Publication status	Published - 1996
MoE publication type	A1 Journal article-refereed

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@article{980f3376badd40a39300f531c24caf6d,

title = "Triclinic form of tetraaqua(orotato-N,O)-magnesium(II) hydrate at 153K",

abstract = "In the title complex, Mg(C5H2N2O4)(H2O)4].H2O, orotic acid (uracil-6-carboxylic acid or 1,2,3,6-tetrahydro-2,6-dioxo-4-pyrimidinecarboxylic acid) coordinates to Mg through the deprotonated heterocyclic N1 atom and the O atom of the adjacent carboxylate group. The coordination sphere of the Mg atom is octahedral with water molecules occupying the four remaining coordination positions. The bond lengths in the coordination sphere are in the range 2.0128 (13) to 2.1295 (13) {\AA} for the Mg-O bonds and 2.1663 (14) {\AA} for the Mg-N bond. The C=O bond lengths for the exocyclic O2 and O4 atoms of the orotato ligand are 1.247 (2) and 1.249 (2) {\AA}, respectively.",

author = "Ilpo Mutikainen and Reijo H{\"a}m{\"a}l{\"a}inen and Martti Klinga and Olli Orama and Urho Turpeinen",

year = "1996",

doi = "10.1107/S0108270196006567",

language = "English",

volume = "C52",

pages = "2480--2482",

journal = "Acta Crystallographica Section C: Crystal Structure Communications",

issn = "0108-2701",

publisher = "Wiley",

}

TY - JOUR

T1 - Triclinic form of tetraaqua(orotato-N,O)-magnesium(II) hydrate at 153K

AU - Mutikainen, Ilpo

AU - Hämäläinen, Reijo

AU - Klinga, Martti

AU - Orama, Olli

AU - Turpeinen, Urho

PY - 1996

Y1 - 1996

N2 - In the title complex, Mg(C5H2N2O4)(H2O)4].H2O, orotic acid (uracil-6-carboxylic acid or 1,2,3,6-tetrahydro-2,6-dioxo-4-pyrimidinecarboxylic acid) coordinates to Mg through the deprotonated heterocyclic N1 atom and the O atom of the adjacent carboxylate group. The coordination sphere of the Mg atom is octahedral with water molecules occupying the four remaining coordination positions. The bond lengths in the coordination sphere are in the range 2.0128 (13) to 2.1295 (13) Å for the Mg-O bonds and 2.1663 (14) Å for the Mg-N bond. The C=O bond lengths for the exocyclic O2 and O4 atoms of the orotato ligand are 1.247 (2) and 1.249 (2) Å, respectively.

AB - In the title complex, Mg(C5H2N2O4)(H2O)4].H2O, orotic acid (uracil-6-carboxylic acid or 1,2,3,6-tetrahydro-2,6-dioxo-4-pyrimidinecarboxylic acid) coordinates to Mg through the deprotonated heterocyclic N1 atom and the O atom of the adjacent carboxylate group. The coordination sphere of the Mg atom is octahedral with water molecules occupying the four remaining coordination positions. The bond lengths in the coordination sphere are in the range 2.0128 (13) to 2.1295 (13) Å for the Mg-O bonds and 2.1663 (14) Å for the Mg-N bond. The C=O bond lengths for the exocyclic O2 and O4 atoms of the orotato ligand are 1.247 (2) and 1.249 (2) Å, respectively.

U2 - 10.1107/S0108270196006567

DO - 10.1107/S0108270196006567

M3 - Article

SN - 0108-2701

VL - C52

SP - 2480

EP - 2482

JO - Acta Crystallographica Section C: Crystal Structure Communications

JF - Acta Crystallographica Section C: Crystal Structure Communications

ER -

Triclinic form of tetraaqua(orotato-N,O)-magnesium(II) hydrate at 153K

Abstract

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