The crystal structure of p-phenylenediamine dihydrochloride, determined by Chandrasekaran 1,4cta Co'st. (1969), B25,369-374] from photographic data, has been refined by full-matrix least squares to a final R of 0.0276, with 1281 independent non-zero reflexions measured on an automated single-crystal diffractometer. Crystals are tdclinic, space group P1, with a = 8.680 (3), b = 5.835 (3), c = 4.333 (2) ,A,, a = 99.86 (9), fl = 96.28 (4), y = 110.19 (9) °, Z = 1. The C hexagon has D2h (mmm) symmetry within experimental error. The distortions from D6h (6/mmm) symmetry are highly significant, and testify to the strong o-electron-withdrawing character of the substituent. The internal angle at the ipso carbon, aNH;, is 121-9 (l) °.
Abstract. C23H24BrN302, orthorhombic, P212121, a = 39.215 (10), b = 8.590 (2), c = 6.262 (1) A, Z = 4, d c = 1.306 Mg m -3. The final R for 1949 reflections was 0.076. The side chain is extended; its configuration is compared with those of similar compounds.
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