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0345705239
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note
-
(a) Throughout this work the herringbone interaction has been described in terms of the angle between adjacent aromatic rings. This is not the only factor influencing the nature of this interaction, and the separation and the degree to which the rings are offset is also important; however, the relative ring plane angle gives a single value by which the interactions may be conveniently compared.
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50
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56
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0030009983
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A very similar series that shows this sort of structural modulation is the 2,3-dicyano-5,6-dichloro-1,4-dialkoxybenzenes studied by Reddy, D. S.; Ovchinnikov, Y. E.; Shishkin, O. V.; Struchkov, Y. T.; Desiraju, G. R. J. Am. Chem. Soc. 1996, 118, 4085.
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2, Accelrys Ltd., 334 Cambridge Science Park, Cambridge CB4 OWN, U.K. www.accelrys.com.
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Desiraju, G.R.8
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64
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0345273684
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note
-
A search of the CSD (Version 5.23. April 2002) was done for error free Ar-S-S-Ar organic, aromatic, acyclic, nonionic, nonpolymeric structures with R < 0.10. Disordered structures and those without coordinates were excluded. Fiftyone hits with torsion angles of nearly 90° were found.
-
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-
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67
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0345670560
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note
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The near identity of the packing of 2, 2a, and 2b molecules was also quantified with NIPMAT and simulated powder X-ray plots. For a description of the NIPMAT procedure, see Supporting Information.
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69
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0036804206
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(b) Vangala, V. R.; Desiraju, G. R.; Jetti, R. K. R.; Bläser, D.; Boese, R. Acta Crystallogr. 2002, C58, 635.
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70
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0345273683
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note
-
The CSD (Version 5.23, April 2002) was searched for error free C-O-C organic acyclic, aromatic, nonionic, nonpolymeric structures with R < 0.075. Disordered structures and those without coordinates were excluded. Of the 418 entries in the subset, four hits with the corresponding C-C-C compounds in the CSD were found of which one set is isostructural (CAKGOK, GUHKUP).
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