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1.  3,5-Bis(4-fluoro­phen­yl)-4,5-dihydro-1H-pyrazole-1-carbaldehyde 
In the title mol­ecule, C16H12F2N2O, the pyrazole ring adopts a slight envelope conformation with the methyl­ene C atom deviating by 0.114 (3) Å from the mean plane of the other four atoms [maximum deviation = 0.021 (3) Å]. The dihedral angles between the four essentially planar atoms of the pyrazole ring and the fluoro-substituted benzene rings are 2.6 (2) and 82.2 (2)°. The dihedral angle between the two benzene rings is 83.7 (2)°. The crystal packing is stabilized by weak inter­molecular C—H⋯O hydrogen bonds.
PMCID: PMC3120319  PMID: 21754699
2.  2,4-Bis(4-fluoro­phen­yl)-2,3-dihydro-1H-1,5-benzodiazepine 
In the title compound, C21H16F2N2, the seven-membered 1,4-diazepine ring of the benzodiazepine ring system adopts a distorted-boat conformation. The benzene ring of this system makes dihedral angles of 18.6 (2) and 78.8 (2)° with those of two fluoro­phenyl substituents. In the crystal, inversion dimers linked by two weak C—H⋯F hydrogen bonds generate R 2 2(20) ring motifs. There are also weak N—H⋯π and C—H⋯π inter­actions.
PMCID: PMC3089231  PMID: 21754550
3.  (2E)-3-[4-(1H-Benzimidazol-2-ylmeth­oxy)phen­yl]-1-(4-meth­oxy­phen­yl)prop-2-en-1-one 
In the title compound, C24H20N2O3, the mean plane of the benzimidazole unit makes dihedral angles of 79.88 (11) and 85.44 (12)° with the benzene and 4-meth­oxy­benzene rings, respectively. The benzene and 4-meth­oxy­benzene rings maske a dihedral angle of 16.10 (14)°. A pair of inter­molecular N—H⋯O hydrogen bonds connects adjacent mol­ecules into an inversion dimer, generating an R 2 2(26) ring motif. The crystal structure is further stabilized by C—H⋯π inter­actions.
PMCID: PMC3089334  PMID: 21754409
4.  1-(4-Meth­oxy­phen­yl)-4-(3-nitro­phen­yl)-3-phen­oxy­azetidin-2-one 
In the title compound, C22H18N2O5, the four-membered β-lactam ring is nearly planar, with a maximum deviation of 0.023 (2) Å for the N atom, and has long C—C distances of 1.525 (5) and 1.571 (5) Å. The mean plane of this group makes dihedral angles of 11.61 (19), 74.5 (2) and 72.3 (2)° with three aromatic rings. An intra­molecular C—H⋯O hydrogen bond occurs. The packing of the mol­ecules in the crystal structure is governed mainly by inter­molecular C—H⋯O hydrogen-bonding and C—H⋯π stacking inter­actions. Furthermore, a π–π inter­action [centroid–centroid distance = 3.6129 (19) Å] helps to stabilize the crystal structure.
PMCID: PMC3051763  PMID: 21523185
5.  3,5-Bis(4-meth­oxy­phen­yl)-1-phenyl-4,5-dihydro-1H-pyrazole 
In the title compound, C23H22N2O2, the central pyrazole ring is nearly planar (r.m.s. deviation = 0.046 Å) and it makes a dihedral angle of 18.5 (2)° with the phenyl ring. The dihedral angles between the phenyl and the two meth­oxy-substituted phenyl rings are 26.2 (2) and 80.6 (2)°. The crystal structure is stabilized by C—H⋯π stacking inter­actions and weak π–π inter­actions [centriod–centroid distance = 3.891 (2) Å].
PMCID: PMC3051598  PMID: 21523013
6.  1-(Prop-2-en-1-yl)-3-[(trimethyl­sil­yl)meth­yl]benzimidazolium bromide monohydrate 
In the title compound, C14H21N2Si+·Br−·H2O, the benzimidazole ring system is almost planar [maximum deviation = 0.021 (2) Å]. In the crystal, O—H⋯Br and C—H⋯O hydrogen bonds link the ions via the O atoms of the water mol­ecules. In addition, there are π–π stacking inter­actions between the centroids of the benzene and imidazole rings of the benzimidazole ring system [centroid–centroid distances = 3.521 (3) and 3.575 (2) Å].
PMCID: PMC3008061  PMID: 21588727
7.  4-(9-Anthr­yl)-1-(2,4-dimethoxy­phen­yl)spiro­[azetidine-3,9′-xanthen]-2-one 
The title compound, C37H27NO4, crystallizes with two mol­ecules in the asymmetric unit. The β-lactam ring of each mol­ecule is very nearly planar, with maximum deviations of 0.001 (2) and 0.017 (2) Å in the two mol­ecules. The crystal structure is stabilized by inter­molecular C—H⋯O and C—H⋯N contacts, as well as by weak C—H⋯π inter­actions.
PMCID: PMC2969353  PMID: 21582891
8.  (S)-Methyl 2-[(3R,4R)-2-benzyl-3-(2-fur­yl)-1-oxo-1,2,3,4-tetra­hydro­isoquinoline-4-carboxamido]-3-(1H-indol-3-yl)propanoate 
The title compound, C33H29N3O5, was synthesized by the reaction of racemic trans-2-benzyl-3-(2-fur­yl)-1-oxo-1,2,3,4-tetra­hydro­isoquinoline-4-carboxylic acid, l-tryptophan methyl ester and diisopropylcarbodiimide in dry dichloro­methane. The furan ring is disordered over two positions in a 0.859 (14):0.141 (14) ratio. In the 1,2,3,4-tetra­hydro­iso­quin­oline ring system, the heterocyclic ring is not planar, with puckering parameters Q T = 0.448 (2) Å, θ = 64.9 (3) and ϕ = 268.3 (3)°. The crystal is extended into a three-dimensional supra­molecular architecture through inter­molecular N—H⋯O hydrogen bonds and C—H⋯π inter­actions. The absolute structure was assigned by reference to the chiral starting material.
PMCID: PMC2969238  PMID: 21582765
9.  (±)-trans-6,7-Dimeth­oxy-1-oxo-3-(2-thien­yl)isochroman-4-carboxylic acid 
The title compound, C16H14O6S, was synthesized by the reaction of 6,7-dimethoxy­homophthalic anhydride with thio­phene-2-carbaldehyde in the presence of 4-(dimethyl­amino)pyridine (DMAP) as a basic catalyst. The thio­phene ring of the title mol­ecule is disordered over two sites with occupancies of 0.877 (3) and 0.123 (3). The disorder corresponds to an approximate 180° rotation of the thio­phene ring with respect to the C—C bond linking it to the rest of the mol­ecule. The six-membered ring of the 3,4-dihydro­isochromanone ring system is not planar [puckering parameters Q T = 0.571 (2) Å, θ = 115.2 (2)° and ϕ = 99.1 (2)°]. The benzene ring of the 3,4-dihydro­isochromanone ring system makes dihedral angles of 75.0 (2) and 77.2 (5)° with the disordered thio­phene rings. Inter­molecular O—H⋯O and C—H⋯O hydrogen bonds, as well as C—H⋯π inter­actions, lead to the observed supra­molecular structure.
PMCID: PMC2969835  PMID: 21583225

Results 1-9 (9)