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1.  Bis{(R)-1-(3-amino­sulfonyl-4-meth­oxy­phen­yl)-N-[2-(2-eth­oxy­phen­oxy)eth­yl]propan-2-aminium} adipate tetra­hydrate 
The title compound, 2C20H29N2O5S+·C6H8O4 2−·4H2O, which was found to be optically active, is a relatively rare example of a chiral compound crystallizing in the triclinic crystal system. The dihedral angles between the phenyl rings of the cations are 60.03 (15) and 62.03 (16)°, while the C atoms of the anion are almost coplanar (r.m.s. deviation 0.085 Å) and all trans to each other. In the crystal, the components are connected by an extensive network of N—H⋯O and O—H⋯O hydrogen bonds. The sulfonamide groups link the cations into pairs via two N—H⋯O hydrogen bonds about the pseudo-inversion centre, leading to the formation of R 2 2(8) rings. The anions are stacked in between four cationic pairs. Pairs of water mol­ecules bridge the larger building units, forming hydrogen bonds with the remaining two O atoms of the anion.
PMCID: PMC3629575  PMID: 23634062
2.  1-Methyl-4-[(E)-2-(3-hy­droxy-4-meth­oxy­phen­yl)ethen­yl]pyridinium 4-bromo­benzene­sulfonate monohydrate 
In the title hydrated salt, C15H16NO2 +·C6H4BrO3S−·H2O, the cation exists in an E conformation with respect to the ethenyl bond and is almost planar, with a dihedral angle of 2.62 (12)° between the planes of the pyridinium and benzene rings. The meth­oxy substituent deviates slightly from the plane of its attached benzene ring [Cmeth­yl—O—C—C torsion angle = −11.6 (6)°]. In the crystal, the cations, anion and water mol­ecules are linked together into chains along [010] by O—H⋯O hydrogen bonds and weak C—H⋯O inter­actions. There is a short Br⋯O contact [3.029 (2) Å]. The crystal structure also features C—H⋯π inter­actions involving the benzene ring of the anion.
PMCID: PMC3884297  PMID: 24454073
3.  3-(4-Amino­phen­yl)-5-(4-meth­oxy­phen­yl)-4,5-di­hydro-1H-pyrazole-1-carbo­thio­amide 
In the mol­ecule of title pyrazoline derivative, C17H18N4OS, the pyrazole ring adopts an envelope conformation with the flap atom, which bears the meth­oxy­phenyl substituent, displaced by 0.0750 (12) Å from the plane through the other ring atoms. The two substituted benzene rings make a dihedral angle of 70.59 (6)°. The meth­oxy group is twisted slightly with respect to the attached benzene ring [Cmeth­yl—O—C—C torsion angle = −8.84 (15)°]. An intra­molecular N—H⋯N hydrogen bond occurs. In the crystal, the pyrazoline mol­ecules are linked by N—H⋯O and N—H⋯S hydrogen bonds into zigzag layers parallel to the bc plane and stacked along the a axis by π–π inter­actions with centroid–centroid distances of 3.4690 (7) and 3.5792 (7) Å. C—H⋯π inter­actions are also present.
PMCID: PMC3793732  PMID: 24109319
4.  4-(4-Chloro­phen­yl)-3-cyano-7-(4-meth­oxy­phen­yl)-5-oxo-5,6,7,8-tetra­hydro-4H-chromen-2-aminium methano­late 
In the cation of the title organic ion pair compound, C23H20ClN2O3 +·CH3O−, the cyclo­hexyl ring shows a half-boat conformation and the dihedral angles between two benzene rings and the pyran ring are 83.14 (7) and 73.18 (9)°. In the crystal, centrosymmetrically related cations are linked into a dimer by pairs of N—H⋯N hydrogen bonds, generating an R 2 2(12) ring motif. The anion inter­acts with the dimer through an N—H⋯O hydrogen bond. π–π inter­actions between pyran rings of adjacent dimers, with a centroid–centroid distance of 3.861 (2) Å, are also observed.
PMCID: PMC3297885  PMID: 22412688
5.  2-[3,5-Bis(4-meth­oxy­phen­yl)-4,5-di­hydro-1H-pyrazol-1-yl]-4,6-bis­(4-meth­oxy­phen­yl)pyrimidine 
In the title compound, C35H32N4O4, the pyrazole ring forms a dihedral angle of 15.04 (8)° with the adjacent pyrimidine ring. The pyrimidine ring forms dihedral angles of 9.95 (8) and 1.86 (7)° with its adjacent meth­oxy-substituted benzene rings, whereas the equivalent angles are 80.24 (9) and 11.55 (9)° for the pyrazole ring and its adjacent benzene rings. The crystal packing features π–π inter­actions, the centroid–centroid distance between the pyrimidine and methoxyphenyl rings being 3.604 (1) Å. The pyrazole ring is nearly planar, with a maximum deviation of 0.020 (3) Å for the –CH2– carbon.
PMCID: PMC3414322  PMID: 22904855
6.  2-[(E)-2-(4-Hy­droxy-3-meth­oxy­phen­yl)ethen­yl]-1-methylpyridinium 4-bromo­benzene­sulfonate monohydrate 
The title salt crystallized as the monohydrate C15H16NO2 +·C6H4BrSO3 −·H2O. The cation exists in an E conformation with respect to the ethynyl bond and is essentially planar, with a dihedral angle of 6.52 (14)° between the pyridinium and the benzene rings. The hy­droxy and meth­oxy substituents are coplanar with the benzene ring to which they are attached, with an r.m.s. deviation of 0.0116 (3) Å for the nine non-H atoms [Cmeth­yl—O—C—C torsion angle = −0.8 (4)°]. In the crystal, the cations and anions are stacked by π–π inter­actions, with centroid–centroid distances of 3.7818 (19) and 3.9004 (17) Å. The cations, anions and water mol­ecules are linked by O—H⋯O hydrogen bonds and weak C—H⋯O inter­actions, forming a three-dimensional network.
PMCID: PMC3885091  PMID: 24454267
7.  6-Meth­oxy-1-(4-meth­oxy­phen­yl)-1,2,3,4-tetra­hydro-9H-β-carbolin-2-ium acetate 
In the title compound, C19H21N2O2 +·C2H3O2 −, the 1H-indole ring system is essentially planar [maximum deviation = 0.0257 (14) Å] and forms a dihedral angle of 87.92 (7) Å with the benzene ring attached to the tetra­hydro­pyridinium fragment. The tetra­hydro­pyridinium ring adopts a half-chair conformation. In the crystal, cations and anions are linked by inter­ionic N—H⋯O, C—H⋯O and C—H⋯N hydrogen bonds into chains along the a axis.
PMCID: PMC3344593  PMID: 22590355
8.  {2-[(9,9-Dihexyl­fluoren-2-yl)carbon­yl]phen­yl}(4-meth­oxy­phen­yl)methanone 
In the title compound, C40H44O3, the fluorene ring system is essentially planar, with a maximum deviation of 0.075 (3) Å, and forms dihedral angles of 70.62 (8) and 70.31 (8)° with the mean planes of the central benzene ring and the meth­oxy­phenyl ring, respectively. Both the hexyl side chains have different conformations, i.e. an anti–gauche–anti–gauche conformation with C—C—C—C torsion angles of −169.3 (2), 74.2 (4), −178.0 (3) and −76.0 (6)° for one hexyl side chain and an anti–anti–anti–gauche conformation with C—C—C—C torsion angles of −177.9 (2), −176.5 (3), 171.7 (4) and 80.4 (9)° for the other. Four C atoms in one and two C atoms in the other hexyl side chains are each disordered over two sets of sites, with occupancy factors of 0.761 (3):0.239 (3) and 0.660 (6):0.340 (6). In the crystal, mol­ecules are via pairs of C—H⋯O hydrogen bonds, forming inversion dimers and resulting in R 2 2(28) graph-set motifs.
PMCID: PMC3393951  PMID: 22798816
9.  (E)-1-{4-[Bis(4-meth­oxy­phen­yl)meth­yl]piperazin-1-yl}-3-(4-eth­oxy-3-meth­oxy­phen­yl)prop-2-en-1-one 
In the mol­ecule of the title compound, C31H36N2O5, the piperazine ring displays a chair conformation. The dihedral angle between the benzene rings of the bis­(4-meth­oxy­phen­yl)methyl group is 83.42 (15)°. In the crystal, centrosymmetric­ally related mol­ecules are linked through pairs of C—H⋯O hydrogen bonds into dimers, generating an R 2 2(10) ring motif. The dimers are further connected into chains parallel to [2-10] by C—H⋯O hydrogen bonds involving the meth­oxy groups.
PMCID: PMC3344185  PMID: 22606188
10.  3-(3-Meth­oxy­phen­yl)benzo[d]thia­zolo[3,2-a]imidazol-9-ium hydrogen sulfate 
In the title mol­ecular salt, C16H13N2OS+·HSO4 −, the thia­zolo[3,2-a]benzimidazolium ring system is roughly planar [maximum deviation = 0.046 (3) Å] and makes a dihedral angle of 58.22 (11)° with the benzene ring. The meth­oxy group is almost coplanar with its attached benzene ring [Cmeth­yl—O—C—C = −1.6 (5)°]. In the crystal, the cation is linked to the anion by a bifurcated N—H⋯(O,O) hydrogen bond, generating an R 1 2(4) ring motif. The ion pairs are then connected by a C—H⋯O hydrogen bond into inversion dimers and these dimers are further linked by O—H⋯O hydrogen bonds into an infinite tape along [100]. A π–π stacking inter­action [centroid-to-centroid distance = 3.5738 (18) Å] and a short inter­molecular contact [S⋯O = 2.830 (3) Å] are also observed.
PMCID: PMC3414329  PMID: 22904862
11.  3-Meth­oxy-2-[(E)-(4-meth­oxy­phen­yl)imino­meth­yl]phenol 
The title compound, C15H15NO3, adopts the enol–imine tautomeric form. The two rings are twisted with respect to each other, making a dihedral angle of 44.08 (5)°. The 3-methoxy-2-[(E)-(4-methoxyphenyl)-iminomethyl]phenol unit is almost planar, the largest deviation from the mean plane being 0.047 (2) Å. Such a planar conformation might be related to the occurrence of an intra­molecular O—H⋯N hydrogen bond. In the crystal, inter­molecular C—H⋯O hydrogen bonds link the mol­ecules into sheets parallel to (010). These sheets are inter­connected by weak C—H⋯π inter­actions.
PMCID: PMC3051687  PMID: 21523025
12.  1-(2-Meth­oxy­phen­yl)-2-{[2-(2-meth­oxy­phen­yl)hydrazinyl­idene](nitro)­meth­yl}diazene 
In the title compound, C15H15N5O4, a nitro­formazan derivative, the formazan unit is essentially planar with an r.m.s. deviation of 0.0204 (6) Å and adopts a closed syn,s-cis configuration with an intra­molecular N—H⋯N hydrogen bond. The formazan plane makes dihedral angles of 4.32 (5) and 24.35 (5)° with the benzene rings. The dihedral angle between the formazan plane and the nitro group is 12.58 (8)°. In the crystal, C—H⋯O inter­actions connect the mol­ecules into an inversion dimer.
PMCID: PMC3295411  PMID: 22412522
13.  9-Meth­oxy-9-(2-meth­oxy­phen­yl)-9H-xanthene 
In the title compound, C21H18O3, the xanthene system and the meth­oxy­phenyl ring are practically orthogonal with a dihedral angle between their mean planes of 89.27 (3)°. The meth­oxy group attached to the phenyl ring makes a C—O—C—C torsion angle of 11.56 (18)°. In the crystal, mol­ecules are linked by C—H⋯O inter­actions into chains along [010]. Weak C—H⋯π inter­actions also occur.
PMCID: PMC3470213  PMID: 23125657
14.  1-(4-Meth­oxy­phen­yl)-4-(4-methyl­phen­yl)-3-phen­oxy­azetidin-2-one 
The central β-lactam ring of the title compound, C23H21NO3, is almost planar (r.m.s. deviation = 0.032Å). The meth­oxy­benzene ring is almost coplanar with the β-lactam ring [dihedral angle = 1.87 (11)°], whereas the tolyl ring is almost normal to it [75.73 (12)°]. The dihedral angle between the β-lactam ring and the O-bonded phenyl ring is 51.95 (12)°. An intra­molecular C—H⋯O inter­action generates an S(6) ring. The crystal structure features inter­molecular C—H⋯O hydrogen bonds, forming layers parallel to (011), and weak C—H⋯π inter­actions. Two aromatic π–π stacking inter­actions [centroid–centroid distances = 3.6744 (12) and 3.6799 (11) Å] are also observed.
PMCID: PMC3051730  PMID: 21523012
15.  (4-Meth­oxy­phen­yl)methanaminium chloride 
In the crystal structure of the title salt, C8H12NO+·Cl−, the methoxy group of the cation is co-planar with the phenylene moiety with an r.m.s. deviation from the mean plane of only 0.005 Å. The ammonium N atom deviates from this plane by 1.403 (1) Å. In the crystal, the (4-meth­oxy­phen­yl)methan­aminium cations and chloride anions are linked by N—H⋯Cl and C—H⋯O hydrogen bonds, resulting in an open framework architecture with hydrogen-bonded ammonium groups and chloride anions located in layers parallel to (011), separated by more hydrophobic layers with interdigitating anisole groups.
PMCID: PMC3051976  PMID: 21522388
16.  2-(4-Meth­oxy­phen­yl)-1-pentyl-4,5-di­phenyl-1H-imidazole 
The title compound, C27H28N2O, is a lophine (2,4,5-triphenyl-1H-imidazole) derivative with an n-pentyl chain on the amine N atom and a 4-meth­oxy substituent on the benzene ring. The two phenyl and meth­oxy­benzene rings are inclined to the imidazole ring at angles of 25.32 (7), 76.79 (5) and 35.42 (7)°, respectively, while the meth­oxy substituent lies close to the plane of its benzene ring, with a maximum deviation of 0.126 (3) Å for the meth­oxy C atom. In the crystal, inversion dimers linked by pairs of C—H⋯O hydrogen bonds generate R 2 2(22) loops. These dimers are stacked along the a-axis direction.
PMCID: PMC3588259  PMID: 23476433
17.  2-Chloro-N-(4-meth­oxy­phen­yl)benzamide 
In the title compound, C14H12ClNO2, the chloro- and meth­oxy-substituted benzene rings are close to orthogonal [dihedral angle = 79.20 (3)°]. These rings also make angles of 45.9 (3) and 33.5 (3)° with the amide –CONH– unit. The meth­oxy substituent lies close to the meth­oxy­benzene ring plane, with a maximum deviation of 0.142 (3) Å for the methyl C atom. The N—H bond is anti to the 2-chloro substituent of the aniline ring. In the crystal structure, inter­molecular N—H⋯O hydrogen bonds form C(4) chains augmented by a weak C—H⋯O inter­action involving an ortho H atom of the meth­oxy benzene ring that generates an R 2 1(6) motif. The chains stack the mol­ecules into columns down the b axis. Adjacent columns are linked by additional C—H⋯O and C—H⋯π contacts, generating a three-dimensional network.
PMCID: PMC3009019  PMID: 21589131
18.  (2Z)-N-(4-Meth­oxy­phen­yl)-2-(4-meth­oxy­phenyl­imino)-2H-1,4-benzoxazin-3-amine 
In the crystal structure of the title compound, C22H19N3O3, inter­molecular C—H⋯O hydrogen bonds link the mol­ecules into a zigzag chain parallel to the face diagonal of the ac plane. The meth­oxy phenyl rings make a dihdral angle of 32.38 (7)° and form dihedral angles of 0.66 (8) and 24.17 (7)° with the fused benzooxazine ring system.
PMCID: PMC3050339  PMID: 21522758
19.  9-(4-Meth­oxy­phen­yl)anthracene 
In the title compound, C21H16O, the dihedral angle between the anthracene ring system and the benzene ring is 74.3 (5)°. The anthracene ring system is essentially planar (r.m.s. deviation = 0.0257 Å) and the meth­oxy group lies in the plane of the benzene ring [C1—O1—C2—C7 torsion angle = 0.5 (2)°]. The crystal structure features π–π [centroid–centroid distance = 3.9487 (12) Å] and C–H⋯π inter­actions, forming a sheet running along the a-axis direction.
PMCID: PMC3588997  PMID: 23476233
20.  6-Chloro-2-(4-meth­oxy­phen­yl)-4-phenyl­quinoline 
In the title compound, C22H16ClNO, the quinoline ring system makes dihedral angles of 56.30 (6) and 7.93 (6)°, respectively, with the adjacent phenyl and benzene rings. The dihedral angle between these phenyl and benzene rings is 56.97 (8)°. In the crystal, weak C—H⋯π and π–π [centroid–centroid distances of 3.7699 (9) and 3.8390 (9) Å] inter­actions link the mol­ecules into a layer parallel to the ab plane.
PMCID: PMC3884500  PMID: 24427086
21.  N-[(2-Chloro-8-methyl­quinolin-3-yl)meth­yl]-4-meth­oxy­aniline 
In the title compound, C18H17ClN2O, the quinoline ring system is essentially planar; the r.m.s. deviation for the non-H atoms is 0.04 Å with a maximum deviation from the mean plane of 0.026 (4) Å for the C atom bonded to the –CH2– group. The meth­oxy-substituted benzene ring forms a dihedral angle of 70.22 (4)° with this ring system. The crystal structure can be described as zigzag layers in which the quinoline ring systems are parallel to (011) and molecules are connected via inter­molecular N—H⋯N hydrogen bonds, forming chains along [100]. The crystal studied was an inversion twin with a 0.86 (5):0.14 (5) domain ratio.
PMCID: PMC3009236  PMID: 21589041
22.  Methyl (2Z)-2-(2-fluoro-4-meth­oxy­benzyl­idene)-5-(4-meth­oxy­phen­yl)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thia­zolo[3,2-a]pyrimidine-6-carboxyl­ate 
The asymmetric unit of the title compound, C24H21FN2O5S, consists of two crystallographically independent mol­ecules. In each mol­ecule, the central dihydro­pyrimidine ring is significantly puckered and adopts a conformation which is best described as an inter­mediate between a boat and a screw boat. The least-squares planes of the dihydro­pyrimidine rings are almost coplanar with the fluoro-substituted benzene rings, making dihedral angles of 9.04 (7) and 6.68 (7)°, and almost perpendicular to the meth­oxy-substituted benzene rings with dihedral angles of 89.23 (7) and 88.30 (7)°. In the mol­ecular structure, S(6) ring motifs are formed by C—H⋯O and C—H⋯S hydrogen bonds. In the crystal, mol­ecules are linked into a three-dimensional network by inter­molecular C—H⋯O and C—H⋯F hydrogen bonds. The crystal structure is further stabilized by a C—H⋯π inter­action.
PMCID: PMC3212305  PMID: 22090962
23.  [5,10,15,20-Tetra­kis(4-meth­oxy­phen­yl)porphyrinato]zinc di­chloro­methane disolvate 
In the title compound, [Zn(C48H36N4O4)]·2CH2Cl2, the ZnII ion lies on an inversion center and is coordinated in an almost ideal square-planar geometry. The asymmetric unit also contains one di­chloro­methane solvent mol­ecule. The unique meth­oxy-substituted benzene rings form dihedral angles of 59.38 (6) and 66.77 (6)° with the mean plane (r.m.s. deviation of fitted atoms = 0.0282 Å) of the atoms in the porphyrin core. The packing is characterized by close contacts between the ZnII ion and two symmetry-related mol­ecules through the O atoms of a meth­oxy­phenyl group [Zn⋯O = 2.694 (2) Å], forming a two-dimensional network parallel to (100).
PMCID: PMC3793700  PMID: 24109287
24.  Dimethyl 4-[3-(4-meth­oxy­phen­yl)-1-phenyl-1H-pyrazol-4-yl]-2,6-dimethyl-1,4-dihydro­pyridine-3,5-dicarboxyl­ate dihydrate 
In the title compound, C27H27N3O5·2H2O, the dihydro­pyridine ring adopts a flattened boat conformation. The central pyrazole ring is essentially planar [maximum deviation of 0.003 (1) Å] and makes dihedral angles of 50.42 (6) and 26.44 (6)° with the benzene rings. In the crystal, mol­ecules are linked via N—H⋯O, O—H⋯O, O—H⋯N and C—H⋯O hydrogen bonds into two-dimensional networks parallel to the bc plane. The crystal structure is further consolidated by weak C—H⋯π inter­actions.
PMCID: PMC3394006  PMID: 22798871
25.  (E)-4-Meth­oxy-N′-(2,4,5-tri­meth­oxy­benzyl­idene)benzohydrazide hemihydrate 
The title compound crystallizes as a hemihydrate, C18H20N2O5·0.5H2O. The mol­ecule exists in an E conformation with respect to the C=N imine bond. The 4-meth­oxy­phenyl unit is disordered over two sets of sites with a refined occupancy ratio of 0.54 (2):0.46 (2). The dihedral angles between the benzene rings are 29.20 (9) and 26.59 (9)°, respectively, for the major and minor components of the 4-meth­oxy-substituted ring. All meth­oxy substituents lie close to the plane of the attached benzene rings [the Cmeth­yl—O—C—C torsion angles range from −4.0 (12) to 3.9 (2)°]. In the crystal, the components are linked into chains propagating along [001] via N—H⋯O and O—H⋯O hydrogen bonds and weak C—H⋯O inter­actions.
PMCID: PMC3998312  PMID: 24764873

Results 1-25 (118659)