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8-Fold Interpenetration and Concomitant Polymorphism in the 2:3 CoCrystal of Trimesic Acid and 1,2-Bis(4-pyridyl)ethane
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Shattock, T. R.; Vishweshwar, P.; Wang, Z.; Zaworotko, M. J. 8-Fold Interpenetration and Concomitant Polymorphism in the 2:3 CoCrystal of Trimesic Acid and 1,2-Bis(4-pyridyl)ethane. Cryst. Growth. Des. 2005, 6, 2046.
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This requirement may be deemed overly restrictive, but it does offer an important distinction between solvates and cocrystals. However, in some cases, notably in the elegant work by Boese and co-workers, using low-temperature crystallizations, they intentionally prepare cocrystals with a very clear focus and deliberate strategy see, e.g, Kirchner, M. T, Boese, R, Gehrke, A, Blaeser, D. Co-crystallization with acetylene. Part III. Molecular complexes with aromatic azacycles. CrystEngComm 2004, 6, 360
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This requirement may be deemed overly restrictive, but it does offer an important distinction between solvates and cocrystals. However, in some cases, notably in the elegant work by Boese and co-workers, using low-temperature crystallizations, they intentionally prepare cocrystals with a very clear focus and deliberate strategy (see, e.g.: Kirchner, M. T.; Boese, R.; Gehrke, A.; Blaeser, D. Co-crystallization with acetylene. Part III. Molecular complexes with aromatic azacycles. CrystEngComm 2004, 6, 360).
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27744484364
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Desiraju, G.M.4
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34250868412
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Only crystal structures of organic compounds that were successfully solved and refined were included, and all such structures obtained for a specific time period were included in the analysis in an attempt to ensure that no bias was introduced in the selection process
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Only crystal structures of organic compounds that were successfully solved and refined were included, and all such structures obtained for a specific time period were included in the analysis in an attempt to ensure that no bias was introduced in the selection process.
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0031962394
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The quasi-symmetric OHN and ODN bridges in the adducts of 3,5-dimethylpyridine with 3,5-dinitrobenzoic acid
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Jerzykiewicz, L. B.; Malarski, Z.; Sobczyk, L.; Lis, T.; Grech, E. The quasi-symmetric OHN and ODN bridges in the adducts of 3,5-dimethylpyridine with 3,5-dinitrobenzoic acid. J. Mol. Struct. 1998, 440, 175.
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30
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0031559456
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Proton transfer and correlations between the C-O, O-H, N-H and O..N bond lengths in amine phenolates
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Majerz, I.1
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Sobczyk, L.3
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31
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2542482793
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Variable-temperature neutron diffraction studies of the short, strong N...O hydrogen bonds in the 1:2 co-crystal of benzene-1,2,4,5-tetracarboxylic acid and 4,4′-bipyridyl
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Cowan, J. A.; Howard, K.; McIntyre, G. J.; Lo, S. M. F.; Williams, I. D. Variable-temperature neutron diffraction studies of the short, strong N...O hydrogen bonds in the 1:2 co-crystal of benzene-1,2,4,5-tetracarboxylic acid and 4,4′-bipyridyl. Acta Crystallogr. 2003, B59, 794.
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Cowan, J.A.1
Howard, K.2
McIntyre, G.J.3
Lo, S.M.F.4
Williams, I.D.5
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32
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34250879655
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Crystallographic data for 1, 1, pyrazol-1-yl)methyl],4, benzimidazol-1-yl)methyl]benzene, succinic acid (2:1, C40H 38N8O4, M, 694.78 amu, monoclinic, space group P2(1)/n, a, 5.6367(4) Å, b, 32.910(3) Å, c, 9.4476(7) Å, α, 90°, β, 102.342(6)°, γ, 90°, V, 1712.0(2) Å3, Z, 2, Dc, 1.348 g/cm3, μ(Mo Kα, 0.090 mm-1, crystal size 0.45 x 0.40 x 0.04 mm3. Data were collected at 173 K on a Bruker SMART 1000 diffractometer using Mo Kα radiation. A total of 12611 reflections (1.24° < θ < 28.32°) were processed of which 4018 were unique and significant with I > 2σI, Structure solution and refinement were carried out with the SHELXL-9714 software package release 97-2. Final residuals for I > 2
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2 = 0.1276 (GOF = 0.920).
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33
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34250810804
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Crystallographic data for 2, 3-(4-pyridyl)pyrazole, 2,6-difluorobenzoic acid (1:1, C15H11F2N 3O2, M, 303.27 amu, monoclinic, space group P2(1)/n, a, 7.1555(8) Å, b, 17.958(2) Å, c, 10.9686(12) Å, α, 90°, β, 101.301(2)°, γ, 90°, V, 1382.1(3) Å3, Z, 4, Dc, 1.457 g/cm3, μ(Mo Kα, 0.118 mm -1, crystal size 0.46 x 0.16 x 0.07 mm3. Data were collected at 203 K on a Bruker SMART 1000 diffractometer using Mo Kα radiation. A total of 5396 reflections (2.21° < θ < 28.24°) were processed of which 3167 were unique and significant with I > 2σ(I, Structure solution and refinement were carried out with the SHELXL-9714 software package release 97-2. Final residuals for I > 2σ(I) were R
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2 = 0.1056 (GOF = 1.050).
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34
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34250895005
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Crystallographic data for 3, 3-(4-pyridinium)pyrazole pentamethylbenzoate pentamethylbenzoic acid (1:1:1, C32H 39N3O4, M, 529.66 amu, triclinic, space group P1, a, 8.8864(5) Å, b, 11.9875(7) Å, c, 13.7015(8) Å, α, 99.3800(10)°, β, 93.1910(10)°, γ, 107.5560(10)°, V, 1364.42(14) Å3, Z, 2, Dc, 1.289 g/cm 3, μ(Mo Kα, 0.085 mm-1, crystal size 0.09 x 0.24 x 0.36 mm3. Data were collected at 100 K on a Bruker SMART 1000 diffractometer using Mo Kα radiation. A total of 16736 reflections (2.53° < θ < 30.53°) were processed of which 8185 were unique and significant with I > 2σI, Structure solution and refinement were carried out with the SHELXL-9714 software package release 97-2. Final residuals for
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2 = 0.1240 (GOF = 0.947).
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35
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34250882168
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Crystallographic data for 4, 1, pyrazol-1-yl)methyl, 3, benzimidazol-1-yl)methyl]benzene, 3,5-dinitrobenzoate, 3,5-dinitrobenzoic acid (1:1:1, C32H24N8O12, M, 712.59 amu, triclinic, space group P1, a, 9.7657(6) Å, b, 11.7691(7) Å, c, 14.0803(9) Å, α, 86.2270(10)°, β, 74.1630(10)°, γ, 86.2020(10)°, V, 1551.53(17) Å3, Z, 2, Dc, 1.525 g/cm3, μ(Mo Kα, 0.120 mm-1, crystal size 0.46 x 0.36 x 0.28 mm3. Data were collected at 100 K on a Broker SMART 1000 diffractometer using Mo Kα radiation. A total of 12611 reflections (2.24° < θ < 30.08°) were processed of which 4018 were unique and significant with I > 2σI, Structure solution and refinement were carried out with the SHELXL-97 14 software packag
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2 = 0.1240 (GOF = 1.024).
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36
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0033549581
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Molecular beside ionic: Crystal structures of a 1/1 and a 1/4 adduct of pyridine and formic acid
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Wiechert, D.; Mootz, D. Molecular beside ionic: crystal structures of a 1/1 and a 1/4 adduct of pyridine and formic acid. Angew. Chem., Int. Ed. 1999, 38, 1974.
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Wiechert, D.1
Mootz, D.2
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37
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15744376252
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Electron and Nuclear Positions in the Short Hydrogen Bond in Urotropine-N-oxide Formic Acid
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Nygren, C. L.; Wilson, C. C.; Turner, J. F. C. Electron and Nuclear Positions in the Short Hydrogen Bond in Urotropine-N-oxide Formic Acid. J. Phys. Chem. A 2005, 109, 1911.
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Nygren, C.L.1
Wilson, C.C.2
Turner, J.F.C.3
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38
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0001752768
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The Cambridge Structural Database: A quarter of a million crystal structures and rising
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Allen, F. A.; The Cambridge Structural Database: a quarter of a million crystal structures and rising, Acta Crystallogr. B 2002, 58, 380.
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Allen, F.A.1
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