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Volumn 8, Issue 4, 2008, Pages 1106-1109

Robust supramolecular heterosynthons in chiral ammonium carboxylate salts

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EID: 54949083828 PISSN: 15287483 EISSN: 15287505 Source Type: Journal
DOI: 10.1021/cg701020s Document Type: Article

Times cited : (23)

References (17)

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- Vangala, V.R.¹ Bhogala, B.R.² Dey, A.³ Desiraju, G.R.⁴ Broder, C.K.⁵ Smith, P.S.⁶ Mondal, R.⁷ Howard, J.A.K.⁸ Wilson, C.C.⁹

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10
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- Crystal data of 1: chemical formula C15H 16I1N1O2, formula weight 369.19, orthorhombic, spacegroup P212121, a, 6.1999(6) Å, b, 7.1107(9) Å, c, 33.151(4) Å, V, 1461.5(3) Å3, Z, 4, ρcalcd, 1.678 Mg m-3, T, 173 K,μ, 2.189 mm-1 (face-indexed absorption corrections, 12603 reflections measured, 2808 observed reflections [I > 2σ(I, R1obs, 0.0254, wRall, 0.0600. Anal. Calcd for C15H 16I1N1O2: C, 48.80; H, 4.37; N, 3.79. Found: C, 48.78; H, 4.44; N, 3.86. Melting point determined from DSC, Tonset, 170.6°C
- onset = 170.6°C.

11
- 61549088190
- Crystal data of 2: chemical formula C15H 16I1N1O2, formula weight 369.19, orthorhombic, spacegroup P212121, a, 6.1866(4) Å, b, 7.095(2) Å,c, 33.1580(4) Å, V, 735.07(7) Å3, Z, 4, ρcalcd, 1.685 Mg m-3, T, 173 K, μ, 2.198 mm-1 (face-indexed absorption corrections, 13631 reflections measured, 3440 unique reflections, 3284 observed reflections [I > 2σ(/, R 1obs, 0.0323, WRall, 0.0891. Anal. Calcd for C15H16I1N1O2: C, 48.80; H, 4.37; N, 3.79. Found: C, 48.70; H, 4.45; N, 4.19. Melting point determined from DSC, Tonset, 170.1°C
- onset = 170.1°C.

12
- 61549105361
- Crystal data of 3: chemical formula C15H 16I1N1O2, formula weight 369.19, triclinic, spacegroup P1̄, a, 6 2004(4) Å, b, 7.1899(3) Å, c, 16.7399(10) Å, α, 89.278(3)°, β, 80 259(2) γ, 88.070(3)°, V, 735.07(7) Å3, Z, 2, ρcalcd, 1.668 Mg m -3, T, 173 K, μ, 1.668 mm-1 (face-indexed absorption corrections, 20657 reflections measured, 3440 unique reflections, 3230 observed reflections [I > 2σ(I, R1obs, 0.0247, wRall, 0.0600. Anal. Calcd for C15H 16I1N1O2: C, 48.80; H, 4.37; N, 3.79. Found: C, 48.76; H, 4.42; N, 3.35. Melting point determined from DSC, Tonset, 153.3°C
- onset = 153.3°C.

13
- 61549115046
- Thermal analysis traces (TGA and DSC) and powder XRD plots of 1, 2, and 3 are given as Supporting Information.
- (d) Thermal analysis traces (TGA and DSC) and powder XRD plots of 1, 2, and 3 are given as Supporting Information.

14
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16
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- Fabian, L.; Kaiman, A. Acta Crystallogr., Sect. B 1999, 55, 1099-1108.
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- Fabian, L.¹ Kaiman, A.²

17
- 61549121440
- The hydrogen bond distances are very similar between structure 1 and ZUSMOV, being 2.805(3), 2.735(3), and 2.696(3) Å; and 2.787(8), 2.744(6), and 2.697(8) Å for the same respective N ⋯ O pairs.
- The hydrogen bond distances are very similar between structure 1 and ZUSMOV, being 2.805(3), 2.735(3), and 2.696(3) Å; and 2.787(8), 2.744(6), and 2.697(8) Å for the same respective N ⋯ O pairs.

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