PMCC PMCC

Search tips
Search criteria

Advanced
Results 1-25 (392717)

Clipboard (0)
None

Related Articles

1.  1,2-Diphenyl-2-(m-tolyl­amino)ethanone1  
The title compound, C21H19NO, belongs to the family of α-amino­ketones. The structure contains three benzene rings, two of which [the phenyl ring in the 1-position (B) and the methylaniline ring (A)] are nearly coplanar [dihedral angle = 5.4 (1)°], whereas the phenyl ring in the 2-position (C) is nearly normal to them [dihedral angles = 81.8 (1) and 87.0 (1)° for A/C and B/C, respectively]. The conformation of the N—H bond is syn to the C=O bond, favouring the formation of a centrosymmetric dimer of mol­ecules in the crystal structure. The mol­ecular packing is consolidated by this N—H⋯O hydrogen-bonding network.
doi:10.1107/S1600536810013371
PMCID: PMC2979094  PMID: 21579159
2.  Tetra-μ-acetato-κ8 O:O′-bis­{[2-(m-tolyl­amino)pyridine-κN]copper(II)} 
In the crystal structure of the title compound, [Cu2(C2H3O2)4(C12H12N2)2], the binuclear mol­ecule lies about a center of inversion; the four acetate groups each bridge a pair of CuII atoms. The coordination of the metal atom is distorted square-pyramidal, with the bonding O atoms comprising a square basal plane and the coordinating N atom of the N-heterocycle occupying the apical position. The pyridine ring is twisted with respect to the benzene ring at a dihedral angle of 45.68 (16)°. Intra­molecular N—H⋯O hydrogen bonding is present between the imino and carb­oxy groups.
doi:10.1107/S1600536809050041
PMCID: PMC2972063  PMID: 21578695
3.  Methyl 2,6-diphenyl-1-p-tolyl-4-(p-tolyl­amino)-1,2,5,6-tetra­hydro­pyridine-3-carboxyl­ate 
In the title compound, C33H32N2O2, the tetra­hydro­pyridine ring adopts a boat conformation with the carbonyl group in an s-cis conformation with respect to the C=C bond of the six-membered tetra­hydro­pyridine ring. The mol­ecular conformation is stabilized by intra­molecular N—H⋯O, C—H⋯O and C—H⋯π inter­actions. Formation of centrosymmetric head-to-head dimers is observed through pairwise inter­molecular N—H⋯O hydrogen bonds. Additional weak C—H⋯O and C—H⋯π inter­actions stabilize the three-dimensional mol­ecular assembly.
doi:10.1107/S1600536812030309
PMCID: PMC3414317  PMID: 22904850
4.  Tetra-μ-acetato-κ8 O:O′-bis­{[4-methyl-2-(m-tolyl­amino)pyridine-κN]copper(II)} 
In the crystal structure of the title binuclear complex, [Cu2(CH3COO)4(C13H14N2)2], the four acetate groups each bridge a pair of CuII atoms. The coordination of the metal atoms is distorted square-pyramidal, with the bonding O atoms comprising a square basal plane and the coordinating N atom of the N-heterocycle occupying the apical position. In the two N-hetercycle ligands, the benzene rings are twisted with respect to the pyridine rings, making dihedral angles of 53.1 (2) and 54.2 (2)°. Intra­molecular N—H⋯O hydrogen bonding is present between the imino and carb­oxy groups. The crystal studied was a non-merohedral twin with a minor twin component of 21.4%.
doi:10.1107/S1600536809055858
PMCID: PMC2979871  PMID: 21579640
5.  3-(2-Hydroxy­ethyl)-2-(p-tolyl­amino)­quinazolin-4(3H)-one 
In the title compound, C17H17N3O2, the quinazolinone ring system is essentially planar. The benzene ring is twisted with respect to it by a dihedral angle of 32.7 (5)°. The mol­ecular conformation is stabilized by an N—H⋯O hydrogen bond, and the crystal structure is stabilized by inter­molecular O—H⋯N inter­actions.
doi:10.1107/S1600536808040440
PMCID: PMC2967952  PMID: 21581677
6.  (E)-3,5-Dimethyl-1-p-tolyl-4-(p-tolyl­diazen­yl)-1H-pyrazole 
There are two independent mol­ecules, A and B, in the asymmetric unit of the title compound, C19H20N4, in each of which the N=N double bond has an E conformation. The dihedral angles between the pyrazole ring and the p-tolyl rings in the 1- and 4-positions are 22.54 (8) and 35.73 (7)°, respectively, in mol­ecule A. The corresponding dihedral angles in mol­ecule B are 28.13 (8) and 22.18 (8)°. In the crystal, the A and B mol­ecules are linked by weak C—H⋯π inter­actions, leading to inversion dimers in each case.
doi:10.1107/S1600536812000360
PMCID: PMC3275036  PMID: 22346981
7.  N-(2,4-Dinitro­phen­yl)-N′-(1-p-tolyl­ethyl­idene)hydrazine 
In the title mol­ecule, C15H14N4O4, the dihedral angle between the two benzene rings is 2.21 (7)°. An intra­molecular N—H⋯O hydrogen bond generates an S(6) ring motif. The mean planes of the ortho- and para-nitro groups make dihedral angles of 2.17 (17) and 2.05 (16)°, respectively, with the benzene ring to which they are attached. In the crystal structure, weak inter­molecular C—H⋯O hydrogen bonds generate R 2 2(7), R 2 2(13) and R 2 1(10) ring motifs, linking symmetry-related mol­ecules into extended chains along the b axis. In addition, there are inter­molecular C⋯C [3.332 (2)–3.343 (2) Å] contacts which are shorter than the sum of the van der Waals radii. The crystal structure is further stabilized by inter­molecular C—H⋯π and π–π stacking inter­actions [centroid–centroid distance = 3.8090 (9) Å].
doi:10.1107/S1600536809009957
PMCID: PMC2969085  PMID: 21582553
8.  Ethyl 1-(2-hy­droxy­eth­yl)-2-p-tolyl-1H-benzimidazole-5-carboxyl­ate 
The asymmetric unit of the title compound, C19H20N2O3, contains two mol­ecules (A and B) with slightly different orientations of the ethyl groups with respect to the attached carboxyl­ate groups. Intra­molecular C—H⋯O hydrogen bonds generate S(8) ring motifs in both mol­ecules A and B. In each mol­ecule, the benzimidazole ring system is essentially planar, with maximum deviations of 0.023 (1) and 0.020 (1) Å, respectively, for mol­ecules A and B. The dihedral angle between the benzimidazole ring system and the phenyl ring is 37.34 (5)° for mol­ecule A and 42.42 (5)° for mol­ecule B. In the crystal, O—H⋯N and C—H⋯O hydrogen bonds link the mol­ecules into [100] columns with a cross-section of two-mol­ecule by two-mol­ecule wide, and further stabilization is provided by weak C—H⋯π and π–π inter­actions [centroid separations = 3.5207 (7) and 3.6314 (8) Å].
doi:10.1107/S1600536810020799
PMCID: PMC3006903  PMID: 21587829
9.  Ethyl 3-[2-(p-tolyl­carbamothio­yl)hydrazinyl­idene]butano­ate 
The title compound, C14H19N3O2S, was obtained from a condensation reaction of N-(p-tol­yl)hydrazinecarbothio­amide and ethyl acetoacetate. The mol­ecule assumes an E configuration; the thio­semicarbazide and ester groups are located on the opposite sides of the C=N bond. The almost planar thio­semicarbazide unit (r.m.s. deviation = 0.0130 Å) is tilted at a dihedral angle of 49.54 (12)° with respect to the benzene ring. Inter­molecular N—H⋯N and N—H⋯S hydrogen bonding stabilizes the crystal structure. The eth­oxy group of the ester unit is disordered over two positions, with a site-occupancy ratio of 0.680 (10):0.320 (10).
doi:10.1107/S160053681004290X
PMCID: PMC3009117  PMID: 21589138
10.  (E)-4-{[(3-Propyl-5-sulfanyl­idene-4,5-dihydro-1H-1,2,4-triazol-4-yl)imino]­meth­yl}-3-(p-tol­yl)-1,2,3-oxadiazol-3-ium-5-olate 
The title compound, C15H16N6O2S, exists in a trans configuration with respect to the acyclic N=C bond. The 1,2,3-oxadiazol-3-ium ring makes dihedral angles of 10.59 (8) and 73.94 (8)°, respectively, with the 1,2,4-triazole and benzene rings. The mol­ecular structure is stabilized by an intra­molecular C—H⋯S hydrogen bond, which generates an S(6) ring motif. In the crystal, mol­ecules are linked into inversion dimers by pairs of inter­molecular N—H⋯S hydrogen bonds, generating eight-membered R 2 2(8) ring motifs. The dimers are further connected by C—H⋯O hydrogen bonds, forming a sheet parallel to the bc plane. The ethyl group is disordered over two sets of sites with occupancies of 0.744 (7) and 0.256 (7).
doi:10.1107/S1600536811037287
PMCID: PMC3201362  PMID: 22065521
11.  1-(3-Chloro­phen­yl)-3-(1-p-tolyl­imidazolidin-2-yl­idene)urea 
In the crystal structure of the title compound, C17H17ClN4O, the existence of only one 2-imino–oxo of the five possible N-amino–imino/O-keto–hydr­oxy tautomers is observed and the dihedral angle between the aromatic rings is 29.78 (11)°. The mol­ecular conformation is stabilized by intra­molecular C—H⋯N, N—H⋯O and C—H⋯O hydrogen bonds, in each case generating a six-membered ring. In the crystal structure, the glide-plane-related mol­ecules are linked into C(4) amide chains by inter­molecular N—H⋯O hydrogen bonds, and an inter­molecular C—H⋯O link also occurs.
doi:10.1107/S1600536808040701
PMCID: PMC2967957  PMID: 21581683
12.  1-(5-Nitro-2-oxoindolin-3-yl­idene)-4-o-tolyl­thio­semicarbazide methanol monosolvate 
In the title compound, C16H13N5O3S·CH4O, the dihedral angle between the isatin unit and the 2-methyl­phenyl group is 41.81 (2)° and intra­molecular N—H⋯O and N—H⋯N hydrogen bonds occur, generating S(6) and S(5) rings, respectively. In the crystal, polymeric chains arise as a result of N—H⋯O, O—H⋯S and C—H⋯O inter­actions.
doi:10.1107/S1600536809043633
PMCID: PMC2971320  PMID: 21578445
13.  N-Hydr­oxy-N-o-tolyl­acetamide 
In the mol­ecule of the title compound, C9H11NO2, the methyl C atom bonded to the ring and the N atom lie in the benzene ring plane. An intra­molecular O—H⋯O hydrogen bond results in the formation of a five-membered planar ring, which is oriented at a dihedral angle of 81.37 (3)° with respect to the benzene ring. In the crystal structure, inter­molecular O—H⋯O hydrogen bonds link the mol­ecules stacked along the b axis. There are also π–π inter­actions between benzene rings with a face-to-face stacking distance of 3.434 Å.
doi:10.1107/S1600536808002468
PMCID: PMC2960255  PMID: 21201552
14.  Methyl 1-phenyl-3-p-tolyl-1,9b-di­hydro-3H-chromeno[4,3-c]isoxazole-3a(4H)-carboxyl­ate 
In the title compound, C25H23NO4, the pyran ring of the chroman moiety has an envelope conformation with the methyl­ene C atom as the flap. The isoxazole ring has a twist conformation on the O—C bond. The dihedral angle between their mean planes is 57.87 (9)°. The attached phenyl and benzene rings are twisted away from its mean plane by 56.19 (10) and 50.57 (10)°, respectively. These two rings are normal to each other, subtending a dihedral angle of 89.2 (1)°. In the crystal, there are no classical hydrogen bonds; the mol­ecules are linked via C—H⋯π inter­actions, forming a two-dimensional network lying parallel to (10-1).
doi:10.1107/S1600536814002438
PMCID: PMC3998385  PMID: 24764992
15.  (Z)-3-p-Tolyl-2-(p-tolyl­imino)-1,3-thia­zolidin-4-one 
In the title compound, C17H16N2OS, the central thia­zolidin-4-one ring forms dihedral angles of 66.49 (9) and 79.45 (6)° with the two methyl-substituted benzene rings. In the crystal, mol­ecules are stacked in columns along the b axis through C—H⋯π inter­actions. The H atoms of one of the methyl groups are disordered over two orientations with equal site occupancies.
doi:10.1107/S160053681201149X
PMCID: PMC3344088  PMID: 22606091
16.  4-Chloro-N-o-tolyl­benzamide 
In the mol­ecule of the title compound, C14H12ClNO, the two benzene rings are close to coplanar [dihedral angle = 7.85 (4)°]. The amide N—C=O plane makes dihedral angles of 34.04 (4) and 39.90 (3)°, respectively, with the 4-chloro- and 2-methyl­phenyl rings. In the crystal structure, inter­molecular N—H⋯O hydrogen bonds link the mol­ecules into chains.
doi:10.1107/S1600536808030912
PMCID: PMC2959280  PMID: 21201235
17.  2-(4-tert-Butyl­phen­yl)-5-p-tolyl-1,3,4-oxadiazole 
In the title compound, C19H20N2O, the dihedral angles between the 1,3,4-oxadiazole ring and the pendant 4-tert-butyl­phenyl and 4-methyl­phenyl rings are 12.53 (17) and 2.14 (17)°, respectively. In the crystal, mol­ecules are linked by C—H⋯N hydrogen bonds, forming chains.
doi:10.1107/S1600536809051198
PMCID: PMC2980193  PMID: 21580186
18.  O-Phenyl (cyclo­hexyl­amido)(p-tolyl­amido)­phosphinate 
In the title mol­ecule, C19H25N2O2P, the P atom is bonded in a distorted tetra­hedral environment. The dihedral angle between the two phenyl rings is 89.09 (8)°. The methyl H atoms are disordered over two sets of sites with equal occupancy. The O atom of the P=O group acts as a double hydrogen-bond acceptor of the type (N—H)2⋯(O=)P—, forming R 2 2(8) rings which are further linked into chains along [010].
doi:10.1107/S1600536811018502
PMCID: PMC3120379  PMID: 21754869
19.  1-[4-(Di­methyl­amino)­benzyl­idene]-4-o-tolyl­thio­semicarbazide 
The asymmetric unit of the title compound, C17H20N4S, contains two independent mol­ecules, the main difference between them being the dihedral angles between the benzene rings [19.99 (17) and 9.72 (17)°]. The mol­ecules both have a trans conformation about the C=N double bond and intra­molecular C—H⋯S and N—H⋯N hydrogen bonds are observed in both mol­ecules. In the crystal, mol­ecules are linked by weak N—H⋯S hydrogen bonds with graph-set motif R 2 2(8). In each mol­ecule, all but one of the N atoms and both the S atoms are involved in hydrogen bonding.
doi:10.1107/S1600536813012890
PMCID: PMC3685061  PMID: 23795080
20.  (1Z,2E)-1-(3,4-Diphenyl-2,3-di­hydro-1,3-thia­zol-2-yl­idene)-2-(1-p-tolyl­ethyl­idene)hydrazine 
In the title compound, C24H21N3S, the thia­zole ring makes dihedral angles of 52.03 (6), 62.63 (6) and 12.35 (6)°, respectively, with the two phenyl rings and the benzene ring. In the crystal, weak C—H⋯π inter­actions occur between inversion-related mol­ecules.
doi:10.1107/S1600536813020254
PMCID: PMC3793809  PMID: 24109396
21.  6-Methyl-2-p-tolyl-4-[3-(trifluoro­meth­yl)phen­yl]pyridazin-3(2H)-one 
In the title mol­ecule, C19H15F3N2O, the benzene rings of the tolyl and trifluoro­methyl­phenyl groups form dihedral angles of 64.1 (2) and 38.5 (2)°, respectively, with the pyridazine ring. The CF3 group is disordered over two orientations, with site-occupancy factors of ca 0.56 and 0.44.
doi:10.1107/S1600536808005928
PMCID: PMC2961053  PMID: 21202068
22.  3-(5-Phenyl-4-phenyl­sulfonyl-1-p-tolyl-1H-pyrazol-3-yl)-1,2-dihydro­quinoxaline 
In the crystal structure of the title compound, C30H24N4O2S, the dihydro­quinoxaline fused-ring system is disordered over three orientations in a 0.358 (2):0.318 (3):0.324 (3) ratio; the mean planes of the non-H atoms of the disorder components are aligned at 4.0 (3), 11.8 (4) and 41.7 (2)° with respect to the pyrazole ring. The rings of the phenyl and tolyl substituents are aligned at 64.0 (1) and 43.7 (1)° with respect to the pyrazole ring. Weak intermolecular C—H⋯O hydrogen bonding links the mol­ecules, forming supra­molecular chains running along the a axis.
doi:10.1107/S1600536811005940
PMCID: PMC3052037  PMID: 21522440
23.  (E)-5-Meth­oxy-2-(o-tolyl­imino­meth­yl)phenol 
In the title compound, C15H15NO2, the phenol group make dihedral angles of 2.4 (2) and 24.1 (9)° with the imine linkage (–C=N–) and the phenyl group, respectively, and the mol­ecule adopts the enol–imine tautomeric form, so the mol­ecular structure is stabilized by a strong intra­molecular O—H⋯N hydrogen bond. The crystal structure features a weak C—H⋯π inter­action.
doi:10.1107/S1600536809055615
PMCID: PMC2979691  PMID: 21579742
24.  4-{[(E)-(3,5-Dimethyl-1-phenyl-1H-pyrazol-4-yl)methyl­idene]amino}-1,5-dimethyl-2-phenyl-1H-pyrazol-3(2H)-one 
The title Schiff base compound, C23H23N5O, was synthesized by the reaction of 4-amino­phenazone and 3,5-dimethyl-1-phenyl­pyrazole-4-carbaxaldehyde. The mol­ecule adopts an E configuration about the central C=N double bond. A weak intra­molecular C—H⋯O hydrogen bond generates an S(6) ring motif. The dihedral angle between the pyrazole rings is 24.72 (10)° and the dihedral angles between the pyrazole rings and the adjacent phenyl rings are 58.67 (10) and 46.58 (11)°. The crystal structure is stabilized by weak C—H⋯π inter­actions involving the pyrazolone and phenyl rings.
doi:10.1107/S1600536810021173
PMCID: PMC3006732  PMID: 21587838
25.  3,4-O-Isopropyl­idene-2,7-di-O-p-tolyl­sulfonyl-α-l-xylo-3-heptulo-3,6-furan­osononitrile 
In the title compound, C24H27NO10S2, derived from l-sorbofuran­ose, the fused five-membered rings display envelope conformations. The two tosyl­ate branches are in equatorial positions with respect to the furan­ose ring, while the hydr­oxy group is in the axial position. In the crystal structure, the hydr­oxy group is involved in inter­molecular O—H⋯O hydrogen bonds, linking mol­ecules in chains along [100].
doi:10.1107/S1600536809032565
PMCID: PMC2970183  PMID: 21577893

Results 1-25 (392717)