Search results for "1H-pyrazole ring"

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Crystal structure and Hirshfeld surface analysis of 1-(2,4-dichlorobenzyl)-5-methyl-N-(thiophene-2-sulfonyl)-1H-pyrazole-3-carboxamide

2018

In the title compound, C16H13Cl2N3O3S2, the thiophene ring is disordered in a 0.762 (3):0.238 (3) ratio by an approximate 180° rotation of the ring around the S—C bond linking the ring to the sulfonyl unit. The dichlorobenzene group is also disordered over two sets of sites with the same occupancy ratio. The molecular conformation is stabilized by intramolecular C—H...Cl and C—H...N hydrogen bonds, forming rings with graph-set notation S(5). In the crystal, pairs of molecules are linked by N—H...O and C—H...O hydrogen bonds, forming inversion dimers with graph-set notation R 2 2(8) and R 1 2(11), which are connected by C—H...O hydrogen-bonding interactions into ribbons parallel to (100). Th…

crystal structureDimer1H-pyrazole ringStackingThio-Crystal structurePyrazole010403 inorganic & nuclear chemistryRing (chemistry)01 natural scienceslcsh:Chemistrychemistry.chemical_compoundthiophene ringGeneral Materials ScienceSulfonylchemistry.chemical_classification010405 organic chemistryHydrogen bondChemistrydisorderGeneral ChemistrydimerCondensed Matter Physics0104 chemical sciencesCrystallographylcsh:QD1-999hydrogen-bonding patternsActa Crystallographica Section E Crystallographic Communications
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