(2E)-1-(2,4-Dichlorophenyl)-3-[3-(4-nitrophenyl)-1-phenyl-1H-pyrazol-4-yl] prop-2-en-1-one
| dc.contributor.author | Isloor, A.M. | |
| dc.contributor.author | Malladi, S. | |
| dc.contributor.author | Gerber, T. | |
| dc.contributor.author | Brecht, B.V. | |
| dc.contributor.author | Betz, R. | |
| dc.date.accessioned | 2026-02-05T09:35:22Z | |
| dc.date.issued | 2012 | |
| dc.description.abstract | In the title compound, C <inf>24</inf>H <inf>15</inf>Cl <inf>2</inf>N <inf>3</inf>O <inf>3</inf>, the C=C double bond is E configured. The 1-phenyl-1H-pyrazole moiety is roughly planar (r.m.s. deviation of all fitted non-H atoms = 0.0780 Å), but the mean planes of the two components are inclined at an angle of 9.95 (7)°. The mean plane defined by the non-H atoms of the 1H-pyrazole ring encloses angles of 9.95 (7), 24.54 (6) and 43.02 (6)° with the mean planes of the different benzene rings. In the crystal, C - H?O contacts are present and result in the formation of a double-layer two-dimensional network lying parallel to (110). The shortest inter-centroid distance between two aromatic systems is 3.5455 (7) Å and is apparent between two pyrazole systems. Further ?-? interactions are manifest between a pair of 4-nitrophenyl rings [centroid-to-centroid distance = 3.6443 (7) Å] and a pair of 2,4-dichlorophenyl rings [centroid-to-centroid distance = 3.7797 (7) Å]. | |
| dc.identifier.citation | Acta Crystallographica Section E: Structure Reports Online, 2012, 68, 3, pp. o616-o617 | |
| dc.identifier.issn | 16005368 | |
| dc.identifier.uri | https://doi.org/10.1107/S1600536812003960 | |
| dc.identifier.uri | https://idr.nitk.ac.in/handle/123456789/27047 | |
| dc.subject | data-to-parameter ratio = 16.8 | |
| dc.subject | mean ?(C-C) = 0.002 Å | |
| dc.subject | R factor = 0.030 | |
| dc.subject | single-crystal X-ray study | |
| dc.subject | T = 200 K | |
| dc.subject | wR factor = 0.086 | |
| dc.title | (2E)-1-(2,4-Dichlorophenyl)-3-[3-(4-nitrophenyl)-1-phenyl-1H-pyrazol-4-yl] prop-2-en-1-one |
