Low-temperature crystal structure of 4-chloro-1H-pyrazole
2021 ◽
Vol 77
(9)
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pp. 955-957
Keyword(s):
X Rays
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The structure of 4-chloro-1H-pyrazole, C3H3ClN2, at 170 K has orthorhombic (Pnma) symmetry and is isostructural to its bromo analogue. Data were collected at low temperature since 4-chloro-1H-pyrazole sublimes when subjected to the localized heat produced by X-rays. The structure displays intermolecular N—H...N hydrogen bonding and the packing features a trimeric molecular assembly bisected by a mirror plane (m normal to b) running through one chlorine atom, one carbon atom and one N—N bond. The asymmetric unit therefore consists of one and one-half 4-chloro-1H-pyrazole molecules. Thus, the N—H proton is crystallographically disordered over two positions of 50% occupancy each.
2006 ◽
Vol 62
(5)
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pp. o1770-o1771
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Keyword(s):
2006 ◽
Vol 62
(7)
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pp. o2765-o2767
Keyword(s):
2006 ◽
Vol 62
(4)
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pp. o1319-o1320
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Keyword(s):
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2015 ◽
Vol 71
(10)
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pp. o697-o698
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Keyword(s):
2022 ◽
Vol 78
(1)
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Keyword(s):
2009 ◽
Vol 65
(6)
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pp. o1367-o1367
Keyword(s):
2018 ◽
Vol 74
(3)
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pp. 271-274
Keyword(s):
2014 ◽
Vol 70
(11)
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pp. 424-426
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