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Unexpected Polymorphism in Nitroanilines

Unexpected Polymorphism in Nitroanilines
Unexpected Polymorphism in Nitroanilines
We are currently engaged in a systematic study of solid forms, including polymorphs, co-crystals and salts, produced by simple organic molecules with weakly interacting functional groups. A Microvate[1] reaction block has been used to investigate the effects of temperature and solvent on crystallisation of polymorphs, co-crystals and salts. This allows various temperature profiles involving different rates of heating, cooling and stepped cooling to be used with a number of solvents. Slurry conversion techniques and sublimation can also be utilised. In one line of study we have attempted to make co-crystals and salts of substituted nitroanilines. In one of these experiments using 2-methyl-6-nitroaniline with organic acids we have unexpectedly obtained two as yet unreported forms of pure 2-methyl-6-nitroaniline. Form 1 crystallised in space group P21/c, a = 8.927Å, b = 11.186Å, c = 14.680Å, ? = 90°, ? = 104.79°, ? = 90° and Form 2 in space group P21/c, a = 3.925Å, b = 12.850Å, c = 14.275Å, ? = 90°, ? = 91.46°, ? = 90°. In light of these findings 2-methyl-3-nitroaniline has also been investigated and so far one pure form of the compound has been crystallised in space group P21, a = 14.012Å, b = 4.021Å, c = 15.483Å, ? = 90°, ? = 90°, ? = 90°. On the poster the structures of the crystal forms and the relationships between them will be assessed.
1. www.ReactArray.com
polymorphism
Callear, S.K.
48d34eeb-f1a7-4219-83ef-65e4927a93dd
Hursthouse, M.B.
57a2ddf9-b1b3-4f38-bfe9-ef2f526388da
Callear, S.K.
48d34eeb-f1a7-4219-83ef-65e4927a93dd
Hursthouse, M.B.
57a2ddf9-b1b3-4f38-bfe9-ef2f526388da

Callear, S.K. and Hursthouse, M.B. (2006) Unexpected Polymorphism in Nitroanilines. BCA Spring Meeting 2006. 04 - 06 Apr 2006. 1 pp .

Record type: Conference or Workshop Item (Poster)

Abstract

We are currently engaged in a systematic study of solid forms, including polymorphs, co-crystals and salts, produced by simple organic molecules with weakly interacting functional groups. A Microvate[1] reaction block has been used to investigate the effects of temperature and solvent on crystallisation of polymorphs, co-crystals and salts. This allows various temperature profiles involving different rates of heating, cooling and stepped cooling to be used with a number of solvents. Slurry conversion techniques and sublimation can also be utilised. In one line of study we have attempted to make co-crystals and salts of substituted nitroanilines. In one of these experiments using 2-methyl-6-nitroaniline with organic acids we have unexpectedly obtained two as yet unreported forms of pure 2-methyl-6-nitroaniline. Form 1 crystallised in space group P21/c, a = 8.927Å, b = 11.186Å, c = 14.680Å, ? = 90°, ? = 104.79°, ? = 90° and Form 2 in space group P21/c, a = 3.925Å, b = 12.850Å, c = 14.275Å, ? = 90°, ? = 91.46°, ? = 90°. In light of these findings 2-methyl-3-nitroaniline has also been investigated and so far one pure form of the compound has been crystallised in space group P21, a = 14.012Å, b = 4.021Å, c = 15.483Å, ? = 90°, ? = 90°, ? = 90°. On the poster the structures of the crystal forms and the relationships between them will be assessed.
1. www.ReactArray.com

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More information

Published date: 4 April 2006
Venue - Dates: BCA Spring Meeting 2006, 2006-04-04 - 2006-04-06
Keywords: polymorphism

Identifiers

Local EPrints ID: 43692
URI: https://eprints.soton.ac.uk/id/eprint/43692
PURE UUID: a678324a-58a9-4228-893a-31bc4e485c9f

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Date deposited: 31 Jan 2007
Last modified: 13 Mar 2019 21:09

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