Unknown

Dataset Information

0

(4Z)-4-[(2E)-1-Hy-droxy-3-(3-nitro-phen-yl)prop-2-en-1-yl-idene]-3-methyl-1-(4-methyl-phen-yl)-1H-pyrazol-5(4H)-one.

ABSTRACT: In the title compound, C(20)H(17)N(3)O(4), the dihedral angles between the heterocyclic ring and the toluene and nitro-benzene rings are 4.21?(15) and 11.43?(14)°, respectively. The whole mol-ecule is close to planar (r.m.s. deviation for the 27 non-H atoms = 0.171?Å). Two S(6) rings are formed due to intra-molecular C-H?O and O-H?O hydrogen bonds. In the crystal, inversion dimers linked by pairs of C-H?O bonds generate R(2) (2)(10) loops and further C-H?O bonds link the dimers along the b-axis direction. There exist ?-? inter-actions between the heterocyclic rings at a centroid-centroid distance of 3.7126?(10)?Å and between the centroids of the benzene rings at a distance of 3.8710?(16)?Å.

SUBMITTER: Chaudhry F 

PROVIDER: S-EPMC3393312 | biostudies-other | 2012 Jul

REPOSITORIES: biostudies-other

Json Xml
altmetric image

Publications

(4Z)-4-[(2E)-1-Hy-droxy-3-(3-nitro-phen-yl)prop-2-en-1-yl-idene]-3-methyl-1-(4-methyl-phen-yl)-1H-pyrazol-5(4H)-one.

Chaudhry Faryal F   Tahir M Nawaz MN   Khan Misbahul Ain MA   Ather Abdul Qayyum AQ   Asif Nadia N  

Acta crystallographica. Section E, Structure reports online 20120613 Pt 7

In the title compound, C(20)H(17)N(3)O(4), the dihedral angles between the heterocyclic ring and the toluene and nitro-benzene rings are 4.21 (15) and 11.43 (14)°, respectively. The whole mol-ecule is close to planar (r.m.s. deviation for the 27 non-H atoms = 0.171 Å). Two S(6) rings are formed due to intra-molecular C-H⋯O and O-H⋯O hydrogen bonds. In the crystal, inversion dimers linked by pairs of C-H⋯O bonds generate R(2) (2)(10) loops and further C-H⋯O bonds link the dimers along the b-axis  ...[more]

Similar Datasets

Unknown Crystal structure of (4Z)-4-[(2E)-3-(2-chloro-phen-yl)-1-hy-droxy-prop-2-en-1-yl-idene]-3-methyl-1-phenyl-1H-pyrazol-5(4H)-one.
| S-EPMC4459312 | biostudies-literature
Unknown Crystal structure of (4Z)-4-[(2E)-3-(4-chloro-phen-yl)-1-hy-droxy-prop-2-en-1-yl-idene]-5-methyl-2-phenyl-1H-pyrazol-5(4H)-one.
| S-EPMC4459345 | biostudies-literature
Unknown (2E)-1-(2,4-Dichloro-phen-yl)-3-[3-(4-nitro-phen-yl)-1-phenyl-1H-pyrazol-4-yl]prop-2-en-1-one.
| S-EPMC3295416 | biostudies-literature
Unknown (2E)-1-(2-Hy-droxy-5-methyl-phen-yl)-3-(4-meth-oxy-phen-yl)prop-2-en-1-one.
| S-EPMC3089145 | biostudies-literature
Unknown (4Z)-4-[(2E)-1-Hydr-oxy-3-(4-methoxy-phen-yl)prop-2-en-ylidene]-3-methyl-1-phenyl-1H-pyrazol-5(4H)-one.
| S-EPMC2972098 | biostudies-literature
Unknown (2E)-1-(4-Chloro-phen-yl)-3-(4-nitro-phen-yl)prop-2-en-1-one.
| S-EPMC3648313 | biostudies-literature
Unknown (2E)-3-(4-Chloro-phen-yl)-1-(4-hy-droxy-phen-yl)prop-2-en-1-one.
| S-EPMC3099984 | biostudies-literature
Unknown (2E)-1-(3,4-Dichloro-phen-yl)-3-(2-hy-droxy-phen-yl)prop-2-en-1-one.
| S-EPMC3275046 | biostudies-literature
Unknown (2E)-3-(3-Nitro-phen-yl)-1-[4-(piperidin-1-yl)phen-yl]prop-2-en-1-one.
| S-EPMC3343948 | biostudies-literature
Unknown (2E)-1-(2,5-Dimeth-oxy-phen-yl)-3-(3-nitro-phen-yl)prop-2-en-1-one.
| S-EPMC3247450 | biostudies-literature