addenda and errata\(\def\hfill{\hskip 5em}\def\hfil{\hskip 3em}\def\eqno#1{\hfil {#1}}\)

Journal logoSTRUCTURAL
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ISSN: 2053-2296

Comment on μ1,3-azido-di­azido­tetra­kis­(1,10-phenanthroline)­dicopper(II) azide tetrahydrate

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aRIKEN Tsukuba Institute, 3-1-1 Koyadai, Tsukuba, Ibaraki 305-0074, Japan
*Correspondence e-mail: praba@rtc.riken.go.jp

(Received 2 January 2002; accepted 14 January 2002; online 12 March 2002)

The supramolecular structure of the title dimeric azido complex of copper(II), [Cu2(μ1,3-N3)(N3)2(phen)4](N3)·4H2O (phen is 1,10-phenanthroline, C12H8N2) [Cheng, Hu, Wang & Ye (2002[Cheng, Y.-Q., Hu, M.-L., Wang, S. & Ye, M.-D. (2002). Acta Cryst. C58, m12-m13.]). Acta Cryst. C58, m12–m13], which was originally described in terms of hydrogen-bonded chains, has been re-interpreted as two-dimensional hydrogen-bonded sheets built from R[^4_6](12) and R[^{10}_{10}](28) rings, taking into account the complete hydogen-bonding pattern.

1. Comment

In a recent paper, Cheng et al. (2002[Cheng, Y.-Q., Hu, M.-L., Wang, S. & Ye, M.-D. (2002). Acta Cryst. C58, m12-m13.]) reported a dimeric azido complex of copper(II), viz. [Cu2(μ1,3-N3)(N3)2(phen)4](N3)·4H2O. Although the correct formula was given, the molecular unit was described as being comprised of a dimeric cation, two azide anions and four water mol­ecules. However, re-examination of the structure using the deposited coordinates shows that the molecular unit possesses a dimeric cation along with only one azide anion and four water mol­ecules. This is evident from the fact that both the central N2 and N11 atoms of the two azide ions lie on the special positions at (0,0,½) and (0,0,0), respectively.

The authors also showed that there were hydrogen-bonding and aromatic ππ interactions producing, respectively, a one-dimensional chain and a two-dimensional supramolecular array. However, re-examination using PLATON (Spek, 2001[Spek, A. L. (2001). PLATON. University of Utrecht, The Netherlands.]) clearly reveals further relatively strong hydrogen bonds that were overlooked in the original report, namely the O1W—H1WA⋯O2Wi and O2W—H2WA⋯N10i hydrogen bonds [symmetry code: (i) 1 − x, −y, −z]. These intermolecular hydrogen bonds are involved in the formation of a two-dimensional sheet consisting of R[^4_6](12) and R[^{10}_{10}](28) rings (Fig. 1[link]) (Etter, 1990[Etter, M. C. (1990). Acc. Chem. Res. 23, 120-126.]; Bernstein et al., 1995[Bernstein, J., Davis, R. E., Shimoni, L. & Chang, N.-L. (1995). Angew. Chem. Int. Ed. Engl. 34, 1555-1573.]). The R[^4_6](12) rings adopt a chair conformation and if the weak O1W—H1WA⋯O2Wi component of the nearly planar three-centre hydrogen-bonding system is also considered, then this ring is itself divided into three smaller rings (Fig. 1[link]), one of the R44(8) type and two of the R22(4) type.

Thus, the structure is now correctly described with a complete hydrogen-bonding pattern which dominates the overall structure and plays an important role in the crystal packing (Jeffrey, 1997[Jeffrey, G. A. (1997). An Introduction to Hydrogen Bonding. New York: Oxford University Press Inc.]).

Table 1
Hydrogen-bonding geometry (Å, °)

D—H⋯A D—H H⋯A DA D—H⋯A
O1W—H1WA⋯N10 0.94 2.25 2.792 (7) 116
O1W—H1WA⋯O2Wi 0.94 2.53 3.369 (6) 149
O1W—H1WB⋯N1 0.94 2.24 2.908 (6) 128
O2W—H2WA⋯N10i 0.94 2.33 3.245 (8) 163
O2W—H2WB⋯O1W 0.94 1.92 2.857 (6) 178
Symmetry code: (i) 1-x,-y,-z.

Supporting information


Computing details top

 

Footnotes

The author is currently a postdoctoral fellow.

Acknowledgements

The author wishes to thank the referees for their helpful suggestions.

References

First citationBernstein, J., Davis, R. E., Shimoni, L. & Chang, N.-L. (1995). Angew. Chem. Int. Ed. Engl. 34, 1555–1573.  CrossRef CAS Web of Science Google Scholar
First citationCheng, Y.-Q., Hu, M.-L., Wang, S. & Ye, M.-D. (2002). Acta Cryst. C58, m12–m13.  Web of Science CSD CrossRef CAS IUCr Journals Google Scholar
First citationEtter, M. C. (1990). Acc. Chem. Res. 23, 120–126.  CrossRef CAS Web of Science Google Scholar
First citationJeffrey, G. A. (1997). An Introduction to Hydrogen Bonding. New York: Oxford University Press Inc.  Google Scholar
First citationSpek, A. L. (2001). PLATON. University of Utrecht, The Netherlands.  Google Scholar

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Journal logoSTRUCTURAL
CHEMISTRY
ISSN: 2053-2296
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