Structures of bis(2-thiobarbiturato-O)tetraaquamagnesium and catena-[(μ2-2-thiobarbiturato-O,O)(2-thiobarbiturato-O) bis(μ2-aqua)diaquastrontium] monohydrate
Tóm tắt
The crystal structures of bis(2-thiobarbiturato-O)tetraaquamagnesium Mg(H2O)4(HTBA-O)2
I and catena-[(μ2-2-thiobarbiturato-O,O)(2-thiobarbiturato-O)bis(μ2-aqua)diaquastrontium] monohydrate catena-[Sr(μ2-H2O)2(H2O)2(μ2-HTBA-O,O)(HBTA-O)]
n
· nH2O (II), where H2TBA is 2-thiobarbituric acid C4H4N2O2S, have been determined. Crystal data for a=6.7598(2) Å, b = 7.6060(2) Å, c = 8.5797(2) Å, α = 79.822(2)°, β = 76.622(1)°, γ = 69.124(1)°, V = 398.82(2) Å3, space group P
$\bar 1$
, Z = 1; for II: a = 20.8499(4) Å, b = 19.2649(5) Å, c = 4.14007(9) Å, β = 92.023(2)°, V = 1661.91(7) Å3, space group P21/n, Z = 4. The Mg2+ ion in I is bonded to six O atoms of two HTBA− ions and four water molecules that form a nearly regular octahedron. Each Sr2+ ion in II is coordinated to three oxygen atoms of three HTBA− ions and six water molecules that form an almost ideal tricapped trigonal prism. These polyhedra share edges to form infinite chains. Intermolecular hydrogen bonds create layered structures of I and II.
Tài liệu tham khảo
R. D. Dawson, D. Elliott, W. Elliott, and K. Jones, Data for Biochemical Research (Clarendon, Oxford, 1986; Mir, Moscow, 1991).
Cambridge Structural Database, Ver. 5.34, Univ. of Cambridge, Cambridge (UK), 2012.
J. W. Steed and J. L. Atwood, Supramolecular Chemistry (CRC Press, 2004; Akademkniga, Moscow, 2007), parts 1, 2.
L. Ya. Rozhinskaya, Farmateka, No. 12, 10 (2007).
I. C. Madsen and R. J. Hill, J. Appl. Crystallogr. 27, 385 (1994).
Diffrac-Plus Basic XRD Wizard, Bruker AXS, Karlsruhe, Germany, 2002–2007.
J. W. Visser, J. Appl. Crystallogr. 2, 89 (1969).
PLATON-A multipurpose Crystallographic Tool, Utrecht University, Utrecht, The Netherlands, 2008.
Bruker AXS TOPAS V4: General Profile and Structure Analysis Software for Powder Diffraction Data, User’s Manual, Bruker AXS, Karlsruhe, Germany, 2008.
W. I. F. David, K. Shankland, J. Streek, et al., J. Appl. Crystallogr. 39, 910 (2006).
V. Favre-Nicolin and R. Černý, J. Appl. Crystallogr. 35, 734 (2002).
N. N. Golovnev, M. S. Molokeev, and M. Yu. Belash, Zh. Strukt. Khim. 54, 521 (2013).
M. Kubicki, A. Owczarzak, V. I. Balas, et al., J. Coord. Chem. 65, 1107 (2012).
K. Stahl, J. E. T. Andersen, and S. Christgau, Acta Crystallogr. 62C (2006).
M. R. Chierotti, L. Ferrero, N. Garino, et al., Chem. Eur. J. 16, 4347 (2010).