4‐Bromo‐2,6‐dichloroaniline
01 Mar 2005-Acta Crystallographica Section E-structure Reports Online (International Union of Crystallography (IUCr))-Vol. 61, Iss: 3
TL;DR: The title compound, C6H4BrCl2N, crystallizes in the space group P21/c with two molecules in the asymmetric unit Molecules related by an a-axis translation are stacked over each other, bound by π-π interactions Molecules in adjacent stacks are linked to each other through weak N-H⋯N hydrogen bonds as discussed by the authors.
Abstract: The title compound, C6H4BrCl2N, crystallizes in the space group P21/c with two molecules in the asymmetric unit Molecules related by an a-axis translation are stacked over each other, bound by π–π interactions Molecules in adjacent stacks are linked to each other through weak N—H⋯N hydrogen bonds
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TL;DR: Attempts to cocrystallize 2,6-dichlorophenol with 2,4-diamino-6-methyl-1,3,5-triazine and 6-aminoisocytosine-N-methylpyrrolidin-2-one solvate yielded two-dimensional networks, whereby in cocrystal (III) the overall structure is a consequence of the interaction between the two compounds.
Abstract: The structures of cocrystals of 2,6-dichlorophenol with 2,4-diamino-6-methyl-1,3,5-triazine, C6H4Cl2O·C4H7N5, (III), and 2,6-dichloroaniline with 2,6-diaminopyrimidin-4(3H)-one and N,N-dimethylacetamide, C6H5Cl2N·C4H6N4O·C4H9NO, (V), plus three new pseudopolymorphs of their coformers, namely 2,4-diamino-6-methyl-1,3,5-triazine-N,N-dimethylacetamide (1/1), C4H7N5·C4H9NO, (I), 2,4-diamino-6-methyl-1,3,5-triazine-N-methylpyrrolidin-2-one (1/1), C4H7N5·C5H9NO, (II), and 6-aminoisocytosine-N-methylpyrrolidin-2-one (1/1), C4H6N4O·C5H9NO, (IV), are reported. Both 2,6-dichlorophenol and 2,6-dichloroaniline are capable of forming definite synthon motifs, which usually lead to either two- or three-dimensional crystal-packing arrangements. Thus, the two isomorphous pseudopolymorphs of 2,4-diamino-6-methyl-1,3,5-triazine, i.e. (I) and (II), form a three-dimensional network, while the N-methylpyrrolidin-2-one solvate of 6-aminoisocytosine, i.e. (IV), displays two-dimensional layers. On the basis of these results, attempts to cocrystallize 2,6-dichlorophenol with 2,4-diamino-6-methyl-1,3,5-triazine, (III), and 2,6-dichloroaniline with 6-aminoisocytosine, (V), yielded two-dimensional networks, whereby in cocrystal (III) the overall structure is a consequence of the interaction between the two compounds. By comparison, cocrystal-solvate (V) is mainly built by 6-aminoisocytosine forming layers, with 2,6-dichloroaniline and the solvent molecules arranged between the layers.
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Cites background from "4‐Bromo‐2,6‐dichloroaniline"
...H Cl hydrogen bonds [FIWGOI (Arun Prasad et al., 2005), TCANIL02 (Gowda et al., 2007) and VABFAH (Qin et al., 2010)], weak C—...
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TL;DR: L Lists of software presented and~or reviewed in the Journal of Applied Crystallography are available on the World Wide Web at the above address, together with information about the availability of the software where this is known.
Abstract: Computer Program Abstracts The category Computer Program Abstracts provides a rapid means of communicating up-to-date information concerning both new programs or systems and significant updates to existing ones. Following normal submission, a Computer Program Abstract will be reviewed by one or two members of the IUCr Commission on Crystallographic Computing. It should not exceed 500 words in length and should follow the standard format given on page 189 of the June 1985 issue of the Journal [J. Appl. CrysL (1985). 18, 189190] and on the World Wide Web at http://www.iucr. ac. uk/journals/jac/software/. Lists of software presented and~or reviewed in the Journal of Applied Crystallography are available on the World Wide Web at the above address, together with information about the availability of the software where this is known. J. App/. CrysL (1997). 30, 565 ORTEP-3 for Windows a version of ORTEP-III with a Graphical User Interface (GUI)
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