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Polymeric lithium(I) diaquabarbiturate: Crystal structure
The lithium( I ) catena -diaquabarbiturate complex [Li(H 2 O) 2 (HBA–O,O′)] n ( I ), where Н 2 ВА is barbituric acid, has been structurally characterized by X-ray diffraction (CIF file CCDC no. 1447689), and its thermal decomposition and IR spectrum have been studied. Crystals of complex I are monoc...
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Published in: | Russian journal of inorganic chemistry 2017-06, Vol.62 (6), p.746-750 |
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Main Authors: | , , , |
Format: | Article |
Language: | English |
Subjects: | |
Citations: | Items that this one cites Items that cite this one |
Online Access: | Get full text |
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Summary: | The lithium(
I
)
catena
-diaquabarbiturate complex [Li(H
2
O)
2
(HBA–O,O′)]
n
(
I
), where Н
2
ВА is barbituric acid, has been structurally characterized by X-ray diffraction (CIF file CCDC no. 1447689), and its thermal decomposition and IR spectrum have been studied. Crystals of complex
I
are monoclinic,
a
= 6.4306(7) Å,
b
= 16.720(1) Å,
c
= 7.1732(8) Å, β = 108.253(4)°,
V
= 732.5(1) Å
3
, space group
P
2
1
/
c
, and
Z
= 4. One independent μ
2
-bridging HBA
–
ligand is coordinated to two Li(I) ions via the two oxygen atoms of C
4(6)
=O carbonyl groups. Each Li
+
ion is linked with two μ
2
-HBA
–
ions and two terminal water molecules at tetrahedron vertices. μ
2
-HBA
–
ions link tetrahedra into a chain. The structure is stabilized by multiple hydrogen bonds and π–π-interaction between HBA
–
. The shift of ν(C=O) vibration bands in the IR spectrum of complex
I
in comparison with Н
2
ВА towards lower frequencies agrees with the coordination of HBA
–
via oxygen atoms. The dehydration of complex
I
occurs in two stages in the regions of 100–150 and 150–240°C. |
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ISSN: | 0036-0236 1531-8613 |
DOI: | 10.1134/S0036023617060092 |