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1.  1-[5-(4-Meth­oxy­phen­yl)-3-phenyl-4,5-dihydro-1H-pyrazol-1-yl]ethanone 
The title mol­ecule, C18H18N2O2, is V-shaped with the pyrazoline moiety being inclined to the adjacent phenyl ring by an angle of 6.49 (9)°, while the 4-meth­oxy-substituted ring is inclined to the pyrazoline ring by 82.99 (9)°. In the crystal, adjacent mol­ecules are linked by C—H⋯O inter­actions, forming chains propagating in [100]. There are also C—H⋯π inter­actions involving adjacent mol­ecules and those related by an inversion center.
PMCID: PMC3011559  PMID: 21589470
2.  1-{5-[4-(Hex­yloxy)phen­yl]-3-phenyl-4,5-dihydro-1H-pyrazol-1-yl}ethanone 
The crystal structure of the title compound, C23H28N2O2, is composed of discrete mol­ecules with bond lengths and angles quite typical for pyrazoline derivatives of this class. The plane containing the pyrazoline unit is nearly planar with the mean plane of the phenyl ring at the 3-position, making a dihedral angle of 1.96 (3)°. The crystal packing is stabilized by weak C—H⋯π inter­actions involving both of the aromatic rings.
PMCID: PMC2983223  PMID: 21587501
3.  (3E)-3-[4-(Dimethyl­amino)­phen­yl]-1-(4-hy­droxy­phen­yl)prop-2-en-1-one 
The asymmetric unit of the title compound, C17H17NO2, contains two crystallographically independent mol­ecules. Both mol­ecules adopt a trans configuration about the C=C bond, with the C—C=C—C fragments in the two mol­ecules twisted in opposite directions [torsion angles of 174.2 (2) and −175.8 (2)°]. The two benzene rings in each of the mol­ecules make dihedral angles of 20.21 (6) and 48.64 (4)°. In the crystal, adjacent mol­ecules are linked by O—H⋯O hydrogen bonds into infinite polymeric chains.
PMCID: PMC3006762  PMID: 21588017
4.  (E)-4-Nitro­benzaldehyde oxime 
In the title compound, C7H6N2O3, the planes containing the CNO and ONO atoms subtend dihedral angles of 5.47 (5) and 8.31 (5)°, respectively, with the benzene ring. In the crystal structure, inter­molecular O—H⋯N hydrogen bonds link the mol­ecules into centrosymmetric dimers with an R 2 2(6) graph-set motif.
PMCID: PMC2979095  PMID: 21579179
5.  4-Hex­yloxy-3-methoxy­benzaldehyde 
The title compound, C14H20O3, is a synthetic analogue with a long aliphatic side chain of the important food additive and flavoring agent, vanillin. There are two independent mol­ecules in the asymmetric unit, each having an essentially planar conformation (r.m.s. deviations of 0.023 and 0.051Å for all non–H atoms of the two mol­ecules in the asymmetric unit).
PMCID: PMC2969539  PMID: 21583143
6.  (E)-3-[4-(Pent­yloxy)phen­yl]-1-phenyl­prop-2-en-1-one 
The title compound, C20H22O2, crystallizes with two independent mol­ecules in the asymmetric unit. In each mol­ecule, all the non-H atoms lie in a common plane (r.m.s. deviations of 0.098 and 0.079 Å). There is a π–π stacking inter­action in the crystal structure. The central aromatic rings of the two mol­ecules, which are stacked head-to-tail one above the other, are separated by centroid-to-centroid distances of 3.872 (13) and 3.999 (10) Å.
PMCID: PMC2969684  PMID: 21583142
7.  2-[3-(4-Methoxyphen­yl)-1-phenyl-1H-pyrazol-5-yl]phenol 
The title compound, C22H18N2O2, was derived from 1-(2-hydroxy­phen­yl)-3-(4-methoxy­phen­yl)propane-1,3-dione. The central pyrazole ring forms dihedral angles of 16.83 (5), 48.97 (4) and 51.68 (4)°, respectively, with the methoxy­phenyl, phenyl and hydroxy­phenyl rings. The crystal packing is stabilized by O—H⋯N hydrogen bonding.
PMCID: PMC2968556  PMID: 21582244
8.  Ethyl 4-(4-bromo­phen­yl)-6-(4-ethoxy­phen­yl)-2-oxocyclo­hex-3-enecarboxyl­ate 
The title compound, C23H23BrO4, is an inter­mediate in the synthesis of fused heterocycles. In the title mol­ecule, the cyclo­hexene ring has a distorted half-chair conformation. The bromo­phenyl ring and the mean plane of the cyclo­hexene ring form a dihedral angle of 13.8 (3)°, whereas the benzene and cyclo­hexene rings are approximately perpendicular [88.44 (17)°]. There are only weak C—H⋯O and C—H⋯π inter­molecular inter­actions.
PMCID: PMC2968510  PMID: 21582138
9.  2,2′-(1-Phenyl-1H-pyrazole-3,5-di­yl)diphenol 
The title compound, C21H16N2O2, was derived from 1-(2-hydroxy­phen­yl)-3-(-methoxy­phen­yl)propane-1,3-dione. The mol­ecular structure of the title compound is stabilized by an intra­molecular O—H⋯N hydrogen bond. The dihedral angle between the hydroxy­phenyl ring involved in this intra­molecular hydrogen bond and the pyrazole ring is significantly smaller [10.07 (6)°] than the dihedral angle between the pyrazole and the other hydroxy­phenyl ring [36.64 (5)°]. The benzene ring makes a dihedral angle of 54.95 (3)° with the pyrazole ring. The crystal packing is stabilized by O—H⋯O and O—H⋯N hydrogen bonds.
PMCID: PMC2968261  PMID: 21581962
10.  Ethyl 6-(4-ethoxy­phen­yl)-4-(furan-2-yl)-2-oxocyclo­hex-3-ene-1-carboxyl­ate 
The title compound, C21H22O5, was prepared by NaOH-catalysed cyclo­condensation of 3-(4-ethoxy­phen­yl)-1-(furan-2-yl)prop-2-en-1-one with ethyl acetoacetate. In the crystal, C—H⋯O and C—H⋯π inter­actions link the mol­ecules. In the title mol­ecule, the furan and cyclo­hexene rings are almost parallel [6.77 (11)°] and the cyclo­hexene ring is approximately perpendicular to the benzene ring [84.79 (5)°].
PMCID: PMC2967980  PMID: 21581709
11.  3-(4-Ethoxy­benzo­yl)propionic acid 
The title compound, C12H14O4, is an important inter­mediate in the synthesis of biologically active heterocyclic compounds. In the crystal structure, inter­molecular O—H⋯O and C—H⋯O hydrogen bonds link the mol­ecules. There are also C—H⋯π contacts between the benzene ring and the methyl­ene groups.
PMCID: PMC2959554  PMID: 21581064
12.  3-(2-Hydroxy­phen­yl)-5-(2-methoxy­phenyl)-1H-pyrazole 
The title compound, C16H14N2O2, was derived from 1-(2-hydroxy­phen­yl)-3-(2-methoxy­phen­yl)propane-1,3-dione. The mol­ecule is essentially planar (r.m.s. deviation for all non-H atoms = 0.089 Å). Two intra­molecular hydrogen bonds stabilize the mol­ecular conformation and one N—H⋯O hydrogen bond stabilizes the crystal structure.
PMCID: PMC2960634  PMID: 21201749
13.  2-[5-(4-Hydroxy­phen­yl)-1-phenyl-1H-pyrazol-3-yl]phenol 
The title compound, C21H16N2O2, was derived from 1-(2-hydroxy­phen­yl)-3-(4-methoxy­phen­yl)propane-1,3-dione. The pyrazole ring and one of the hydr­oxy-substituted benzene rings are approximately coplanar, forming a dihedral angle of 7.5 (3)°. The relative conformation of these rings may be influenced by an intra­molecular O—H⋯N hydrogen bond. In the crystal structure, inter­molecular O—H⋯O hydrogen bonds involving different hydr­oxy groups of symmetry-related mol­ecules form extended chains along [201].
PMCID: PMC2961782  PMID: 21202898

Results 1-13 (13)