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Volumn 7, Issue 4, 2007, Pages 609-612

Supramolecular assemblies of nucleobase derivative 1-Mecyt with Mg(II) and Ni(II) and solid-state transformation of Ni(II) phase: A comprehensive evidence of their different reactivity toward 1-Mecyt [1-Mecyt = 1-Methylcytosine]

(6) Mastropietro, Teresa F a Armentano, Donatella a Marino, Nadia a De Munno, Giovanni a Anastassopoulou, Jane b Theophanides, Theophilos b

a UNIVERSITY OF CALABRIA (Italy)

b NATIONAL TECHNICAL UNIVERSITY OF ATHENS (Greece)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 34247487935 PISSN: 15287483 EISSN: None Source Type: Journal
DOI: 10.1021/cg060894k Document Type: Article

Times cited : (13)

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- Single crystals of 1 (colourless parallelepipeds, 2 (green parallelepipeds, or 3 (orange-brown parallelepipeds) have been obtained by slow evaporation of equimolar aqueous solutions of MCl2 (M, Mg2+ or Ni2, and 1-Mecyt. Compounds 2 and 3 have been obtained in the Ni2+ solution as a mixture. Yields: 70, 1) and 75% for 2 and 3 (ca. 35 and 40% for 2 and 3, respectively, When crystals of compound 2 are allowed to stand in air for 1 week, a solid transformation accompanied by a color change from green to brown and a loss of crystallinity occurs, leading to a brown powder. Analytical data: Anal. Calcd for C10H26Cl2MgN 4O8 (1, C. 28.22: H, 6.16; N, 13.17. Found: C, 28.45; H, 5.98; N, 13.01. Anal. Calcd for C10H26Cl 2NiN4O8 2, C, 26.11; H, 5.70; N, 12.18. Found: C. 26
- 2 (3): C. 34.14; H, 4.01; N, 15.92. Found: C, 34.45; H, 4.36; N. 15.77. Found for the brown powder of 3: C, 34.43; H, 4.39; N, 15.82.

46
- 34247480999
- α radiation. They were collected over the ranges 2.06° > v > 26.98° (1), 2.08° > v > 27.06° (2), and 2.86° > v > 30.86° (3), and corrected for absorption. Data were processed using the SHELXTL package (SHELXTL; Bruker Analytical X-ray Instruments: Madison. WI. 1998).
- α radiation. They were collected over the ranges 2.06° > v > 26.98° (1), 2.08° > v > 27.06° (2), and 2.86° > v > 30.86° (3), and corrected for absorption. Data were processed using the SHELXTL package (SHELXTL; Bruker Analytical X-ray Instruments: Madison. WI. 1998).

47
- 84943920736
- Solution and refinement were performed through the programs SHELXS97 (Sheldrick, G. M. Acta Crvstallogr., Sect. A 1990, 46, 467)
- Solution and refinement were performed through the programs SHELXS97 (Sheldrick, G. M. Acta Crvstallogr., Sect. A 1990, 46, 467)

48
- 34247522387
- and SHELXL97 (Sheldrick. G. M. SHELXL-97. Program for the Solution and Refinement of Crystal structures; University of Göttingen: Göttingen. Germany. 1997, Crystal data of 1: M, 226.78. triclinic, a, 7.608(2) Å, b, 7.987(2) Å, c, 10.443(2) Å. α, 104.50(3)°. β, 94.35(3)°. γ, 116.79(3)°, V, 535.2(2) Å3. T, 293(2) K, space group P1̄. Z, 2, ρ, 1.407 g/cm3, μ, 3.79 mm-1; 2487 reflections measured, 2252 unique; R1 [I > 2σ (I, 0.0431. wR2, 0.1150. Crystal data of 2: M, 243.98, triclinic. a, 7.502(1) Å b, 7.584(1) Å, c, 10.383(1) Å, α, 104.85(1)°. β, 94.05(1)°, γ, 116.11(1)°, V= 501.2(1) Å3, T= 293(2) K, space group P1̄. Z, 2. ρ, 1.617 g/cm3
- -1; 26594 reflections measured, 4549 unique; R1 [I > 2σ-(I)] = 0.0231, wR2 = 0.0924. Crystallographic data for the structure reported in this paper have been deposited with the Cambridge Crystallographic Data Centre as supplementary publication nos. CCDC 629028-629030. Copies of the data can be obtained free of charge on application to CCDC, 12 union Road, Cambridge CB2 1EZ, UK (fax: (+44) 1223-336-033.; e-mail: deposit@ccdc.cam.ac.uk).

49
- 34247472666
- α radiation operating at 40 kV and 30 mA in grazing incidence (0.5) mode.
- α radiation operating at 40 kV and 30 mA in grazing incidence (0.5) mode.

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