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2 = 0.1881.
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a bond length is a real effect or an artifact of increased thermal vibration or a combination of both. Similar arguments have previously been used to analyze the hydrogen-bonding nature of C-H⋯O interactions formed by terminal alkynes. See: Steiner, T. J. Chem. Soc, Chem. Commun. 1994, 101-102.
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a bond length is a real effect or an artifact of increased thermal vibration or a combination of both. Similar arguments have previously been used to analyze the hydrogen-bonding nature of C-H⋯O interactions formed by terminal alkynes. See: Steiner, T. J. Chem. Soc, Chem. Commun. 1994, 101-102.
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43
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33947531244
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Crystal data for 1-Zn-PhN02: C46H 30N6O4Zn·2(C6H 5NO2, M, 1042.35, monoclinic, a, 11.321(2) Å, b, 11.925(2) Å, c, 18.146-(3) Å, β, 94.312(4)°, V, 2443.0(8) Å3, T, 193 K, space group P21/c (No. 14, Z, 2, Dcalcd, 1.417 g cm-3, μ(Mo-Kα, 0.571 mm-1,4175 reflections out of 6051 unique reflections with I > 2σI, 1.80° < θ < 28.30°, final R values R1, 0.0663, wR2, 0.1506
-
2 = 0.1506.
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44
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33947520557
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Guest inclusion is further facilitated by the near perpendicular alignment of the tolyl rings with respect to the central porphyrin ring in 1-Zn-PhNO2 (interplanar angle: 89.1°, In 1-Zn, this angle is 68.1°. The interplanar angles between the porphyrin ring and nitrophenyl rings in 1-Zn (77.2°) and 1-Zn-PhNO2 (65.3°) also differ significantly
-
2 (65.3°) also differ significantly.
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45
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33947494384
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Two symmetry-independent C - H⋯O interactions (H⋯O (Å), C⋯O (Å), C-H⋯O (deg): 2.25, 3.293, 161; 2.71, 3.576, 137) and one C - H⋯π interaction (H⋯X (Å), C⋯X (Å), C-H⋯X (deg): 2.97, 3.784, 132; X refers to the centroid of aromatic rings) are seen in the crystals.
-
Two symmetry-independent C - H⋯O interactions (H⋯O (Å), C⋯O (Å), C-H⋯O (deg): 2.25, 3.293, 161; 2.71, 3.576, 137) and one C - H⋯π interaction (H⋯X (Å), C⋯X (Å), C-H⋯X (deg): 2.97, 3.784, 132; X refers to the centroid of aromatic rings) are seen in the crystals.
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46
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33947491369
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It is unclear why 1-Zn shows high selectivity for the intercalation of nitrobenzene. We are currently working on the analogues of 1-Zn to test their ability toward selective inclusion of different guest species
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It is unclear why 1-Zn shows high selectivity for the intercalation of nitrobenzene. We are currently working on the analogues of 1-Zn to test their ability toward selective inclusion of different guest species.
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47
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0003868859
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Whittingham, M. S, Jacobson, A. J, Eds, Academic Press: New York
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Whittingham, M. S., Jacobson, A. J., Eds. Intercalation Chemistry; Academic Press: New York, 1982.
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