Skip to main page content
U.S. flag

An official website of the United States government

Dot gov

The .gov means it’s official.
Federal government websites often end in .gov or .mil. Before sharing sensitive information, make sure you’re on a federal government site.

Https

The site is secure.
The https:// ensures that you are connecting to the official website and that any information you provide is encrypted and transmitted securely.

Access keys NCBI Homepage MyNCBI Homepage Main Content Main Navigation
. 2020 Aug 14;5(Pt 8):x201092.
doi: 10.1107/S2414314620010925. eCollection 2020 Aug.

Tetra-aqua-bis-(2,3-di-hydro-1,4-benzodioxine-2-carboxyl-ato)calcium(II)

Esmit B Camargo-Cortés  1 , Mirna Acosta  1 , Juan C Martínez  1 , Leslie W Pineda  2   3
Affiliations

Tetra-aqua-bis-(2,3-di-hydro-1,4-benzodioxine-2-carboxyl-ato)calcium(II)

Esmit B Camargo-Cortés et al. IUCrdata. .

Abstract

The acid-base reaction of 1,4-benzodioxane 2-carb-oxy-lic acid with calcium carbonate furnished the centrosymmetric title compound, [Ca(C9H7O4)2(H2O)4], in which the metal ion is octa-hedrally coordinated by two monodentate 1,4-benzodioxane 2-carboxyl-ate ligands and four water mol-ecules. In the crystal, O-H⋯O and C-H⋯O hydrogen bonds link the mol-ecules into a three-dimensional network.

Keywords: 1,4-benzodioxane; calcium atom; carboxyl­ate groups; crystal structure; hydrogen bonding.

PubMed Disclaimer

Figures

Figure 1
Figure 1
The mol­ecular structure of the title compound with displacement ellipsoids drawn at the 50% probability level. Unlabeled atoms are generated by the symmetry operation 1 − x, 1 − y, 2 − z.
Figure 2
Figure 2
Packing of the mol­ecules of the title compound. O—H⋯O and C—H⋯O hydrogen bonds are shown as green dashed lines.
See this image and copyright information in PMC

References

    1. Antus, S., Gottsegen, A., Kajtár, J., Kovács, T., Tóth, T. S. & Wagner, H. (1993). Tetrahedron Asymmetry, 4, 339–344.
    1. Bruker (2015). APEX3, SAINT and SADABS. Bruker AXS Inc., Madison, Wisconsin, USA.
    1. Ennis, M. D. & Old, D. W. (1992). Tetrahedron Lett. 33, 6283–6286.
    1. Jasinski, J. P., Butcher, R. J., Yathirajan, H. S., Narayana, B., Mallesha, L. & Mohana, K. N. (2009). J. Chem. Crystallogr. 39, 453–457.
    1. Khouili, M., Pujol, M. D., Solans, X., Font-Bardia, M., Souizi, A., Coudert, G. & Guillaumet, G. (1999). Acta Cryst. C55, 387–389.