Low-temperature crystal structure of 4-chloro-1<i>H</i>-pyrazole

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چکیده

The structure of 4-chloro-1 H -pyrazole, C 3 ClN 2 , at 170 K has orthorhombic ( Pnma ) symmetry and is isostructural to its bromo analogue. Data were collected low temperature since -pyrazole sublimes when subjected the localized heat produced by X-rays. displays intermolecular N—H...N hydrogen bonding packing features a trimeric molecular assembly bisected mirror plane m normal b running through one chlorine atom, carbon atom N—N bond. asymmetric unit therefore consists one-half molecules. Thus, N—H proton crystallographically disordered over two positions 50% occupancy each.

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ژورنال

عنوان ژورنال: Acta Crystallographica Section E: Crystallographic Communications

سال: 2021

ISSN: ['2056-9890']

DOI: https://doi.org/10.1107/s2056989021008604