PMCC PMCC

Search tips
Search criteria

Advanced
Results 1-7 (7)
 

Clipboard (0)
None
Journals
Authors
Year of Publication
Document Types
1.  5-Chloro-N-{4-oxo-2-[4-(trifluoro­meth­yl)phen­yl]-1,3-thia­zolidin-3-yl}-3-phenyl-1H-indole-2-carboxamide 
In the title compound, C25H17ClF3N3O2S, the five-membered 1,3-thia­zolidine ring adopts a twist conformation. The three F atoms of the CF3 group are disordered over two sets of sites with refined occupancies of 0.542 (18) and 0.458 (18). In the nine-membered 1H-indoline ring system, the 1H-pyrrole ring forms a dihedral angle of 4.7 (2)° with the benzene ring, while it is twisted at an angle of 46.5 (2)° with respect to the attached phenyl ring. The dihedral angle between the phenyl and trifluoro­methyl-substituted benzene rings is 56.0 (2)°. In the crystal, N—H⋯O hydrogen bonds connect the mol­ecules into a three-dimensional network. In addition, weak C—H⋯O hydrogen bonds and weak C—H⋯π inter­actions are observed.
doi:10.1107/S1600536812039347
PMCID: PMC3470337  PMID: 23125750
2.  1-{5-[(E)-(2-Fluoro­phen­yl)diazen­yl]-2-hy­droxy­phen­yl}ethanone 
Theere are two independent mol­ecules in the asymmetric unit of the title compound, C14H11FN2O2, each with a trans configuration with respect to the azo double bond. The dihedral angle between the aromatic rings is 17.21 (2)° in one mol­ecule and 19.06 (2)° in the other. Each of the independent mol­ecules has an intra­molecular O—H⋯O hydrogen bond. In the crystal, mol­ecules are stacked along [100].
doi:10.1107/S1600536811004909
PMCID: PMC3051973  PMID: 21522392
3.  1-{5-[(E)-(4-Propyl­phen­yl)diazen­yl]-2-hy­droxy­phen­yl}ethanone 
The mol­ecular geometry of the title compound, C17H18N2O2, displays an E configuration with respect to the azo group. The dihedral angle between the aromatic rings is 10.39 (4)°. In the mol­ecule, an intra­molecular O—H⋯O hydrogen bond generates an S(6) ring motif.
doi:10.1107/S1600536811004910
PMCID: PMC3052044  PMID: 21522393
4.  (E)-2-Acetyl-4-[(3-methyl­phenyl­)diazen­yl]phenol: an X-ray and DFT study 
The title compound, C15H14N2O2, an azo dye, displays a trans configuration with respect to the N=N bridge. The dihedral angle between the aromatic rings is 0.18 (14)°. There is a strong intra­molecular O—H⋯O hydrogen bond. Geometrical parameters, determined using X-ray diffraction techniques, are compared with those calculated by density functional theory (DFT), using hybrid exchange–correlation functional, B3LYP and semi-empirical (PM3) methods.
doi:10.1107/S1600536810003491
PMCID: PMC2983497  PMID: 21580328
5.  (E)-2-[(2-Ethyl­phen­yl)iminiometh­yl]-6-hydroxy­phenolate 
The mol­ecule of the title compound, C15H15NO2, crystallizes in a zwitterionic form, and displays an E configuration about the C=N bond. The dihedral angle between the two aromatic rings is 5.59 (6)°. An intra­molecular N—H⋯O hydrogen bond generates an S(6) ring motif. In the crystal structure, pairs of mol­ecules are linked into centrosymmetric R 2 2(10) dimers by pairs of O—H⋯O hydrogen bonds. Aromatic π–π inter­actions are observed between the benzene rings of adjacent dimers [centroid–centroid distance = 3.4808 (7) Å].
doi:10.1107/S1600536810002503
PMCID: PMC2979895  PMID: 21579864
6.  (E)-2-[(2-Ethyl­phen­yl)imino­meth­yl]-6-methoxy­phenol 
The mol­ecule of the title compound, C16H17NO2, adopts the phenol–imine tautomeric form with a strong intra­molecular O—H⋯N hydrogen bond and an E conformation with respect to the azomethine C=N bond. The dihedral angle between the aromatic rings is 21.23 (9)°. The ethyl group is disordered over two orientations with occupancies of 0.598 (6) and 0.402 (6). In the crystal, the mol­ecules are linked into chains along the b axis by C—H⋯π inter­actions.
doi:10.1107/S1600536809055573
PMCID: PMC2979675  PMID: 21579722
7.  (E)-2-Hydr­oxy-6-[(4-propyl­phenyl)­iminiometh­yl]phenolate 
The title compound, C16H17NO2, crystallizes with three crystallographically independent zwitterionic mol­ecules in the asymmetric unit which differ significantly in the orientations of the propyl side chains. The dihedral angles between the two benzene rings in the three mol­ecules are 6.17 (7), 6.75 (7) and 23.67 (7)°, respectively. In each independent mol­ecule, an intra­molecular N—H⋯O hydrogen bond generates an S(6) ring motif. In the crystal, each independent mol­ecule exists as part of an O—H⋯O hydrogen-bonded centrosymmetric R 2 2(10) dimer.
doi:10.1107/S1600536809052246
PMCID: PMC2980080  PMID: 21580188

Results 1-7 (7)