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1.  4-{[(E)-(4-Chloro­phen­yl)methyl­idene]amino}-3-{2-[4-(2-methyl­prop­yl)phen­yl]eth­yl}-1H-1,2,4-triazole-5(4H)-thione 
The asymmetric unit of the title compound, C21H23ClN4S, contains nine crystallographically independent mol­ecules, labelled A to I. The orientation of the 2-[4-(2-methyl­prop­yl)phen­yl]ethyl unit with respect to the rest of the mol­ecule is significantly different in mol­ecules E, F, H and I compared to the other independent mol­ecules. The isobutyl group of mol­ecule B is disordered over two orientations, with occupancies of 0.764 (7) and 0.236 (7). The benzene rings of the chloro­phenyl and methyl­propyl­phenyl units form dihedral angles of 21.90 (11) and 71.47 (11)°, respectively, with the triazole ring in mol­ecule A [9.15 (11) and 80.37 (11)° in B, 7.14 (11) and 84.06 (11)° in C, 25.76 (11) and 76.59 (11)° in D, 13.68 (11) and 76.82 (10)° in E, 8.38 (11) and 69.77 (10)° in F, 30.34 (11) and 78.12 (11)° in G, 21.20 (11) and 71.58 (10)° in H, and 27.65 (11) and 65.23 (11)° in I]. In each independent mol­ecule, a C—H⋯S hydrogen bond is observed. The crystal packing is stabilized by N—H⋯S and C—H⋯S hydrogen bonds, and by C—H⋯π inter­actions involving the methyl­propyl­phenyl ring.
doi:10.1107/S160053680901650X
PMCID: PMC2969595  PMID: 21583109
2.  Crystal structures of trans-di­chlorido­tetra­kis­[1-(2,6-diiso­propyl­phen­yl)-1H-imidazole-κN 3]iron(II), trans-di­bromido­tetra­kis­[1-(2,6-diiso­propyl­phen­yl)-1H-imidazole-κN 3]iron(II) and trans-di­bromido­tetra­kis­[1-(2,6-diiso­propyl­phen­yl)-1H-imidazole-κN 3]iron(II) diethyl ether disolvate1  
The title compounds are iron(II) dihalide complexes of the bulky arylimidazole ligand 1-(2,6-diisopropylphenyl)-1H-imidazole. The FeCl2 and FeBr2 complexes are isotypic, while the third compound, also an FeBr2 complex, crystallizes as a diethyl ether disolvate.
The title compounds, [FeCl2(C15H20N2)4], (I), [FeBr2(C15H20N2)4], (II), and [FeBr2(C15H20N2)4]·2C4H10O, (IIb), respectively, all have triclinic symmetry, with (I) and (II) being isotypic. The FeII atoms in each of the structures are located on an inversion center. They have octa­hedral FeX 2N4 (X = Cl and Br, respectively) coordination spheres with the FeII atom coordinated by two halide ions in a trans arrangement and by the tertiary N atom of four aryl­imidazole ligands [1-(2,6-diiso­propyl­phen­yl)-1H-imidazole] in the equatorial plane. In the two independent ligands, the benzene and imidazole rings are almost normal to one another, with dihedral angles of 88.19 (15) and 79.26 (14)° in (I), 87.0 (3) and 79.2 (3)° in (II), and 84.71 (11) and 80.58 (13)° in (IIb). The imidazole rings of the two independent ligand mol­ecules are inclined to one another by 70.04 (15), 69.3 (3) and 61.55 (12)° in (I), (II) and (IIb), respectively, while the benzene rings are inclined to one another by 82.83 (13), 83.0 (2) and 88.16 (12)°, respectively. The various dihedral angles involving (IIb) differ slightly from those in (I) and (II), probably due to the close proximity of the diethyl ether solvent mol­ecule. There are a number of C—H⋯halide hydrogen bonds in each mol­ecule involving the CH groups of the imidazole units. In the structures of compounds (I) and (II), mol­ecules are linked via pairs of C—H⋯halogen hydrogen bonds, forming chains along the a axis that enclose R 2 2(12) ring motifs. The chains are linked by C—H⋯π inter­actions, forming sheets parallel to (001). In the structure of compound (IIb), mol­ecules are linked via pairs of C—H⋯halogen hydrogen bonds, forming chains along the b axis, and the diethyl ether solvent mol­ecules are attached to the chains via C—H⋯O hydrogen bonds. The chains are linked by C—H⋯π inter­actions, forming sheets parallel to (001). In (I) and (II), the methyl groups of an isopropyl group are disordered over two positions [occupancy ratio = 0.727 (13):0.273 (13) and 0.5:0.5, respectively]. In (IIb), one of the ethyl groups of the diethyl ether solvent mol­ecule is disordered over two positions (occupancy ratio = 0.5:0.5).
doi:10.1107/S1600536814014056
PMCID: PMC4158527  PMID: 25249858
aryl­imidazole; iron(II); crystal structure
3.  2-Amino-4-(4-chloro­phen­yl)-5,6-dihydro­benzo[h]quinoline-3-carbonitrile–3-amino-1-(4-chloro­phen­yl)-9,10-dihydro­phenanthrene-2,4-dicarbonitrile (1/4) 
The asymmetric unit of the 1:4 title co-crystal of 2-amino-4-(4-chloro­phen­yl)-5,6-dihydro­benzo[h]quinoline-3-carbonitrile and 3-amino-1-(4-chloro­phen­yl)-9,10-dihydro­phenanthrene-2,4-dicarbonitrile, 0.2C20H14ClN3·0.8C22H14ClN3, has the atoms of the fused-ring system and those of the amino, cyano and chloro­phenyl substitutents overlapped. The fused-ring system is buckled owing to the ethyl­ene linkage in the central ring. There are two independent overlapped mol­ecules in the asymmetric unit. In one independent mol­ecule, the two flanking aromatic rings are twisted by 24.4 (1)° and the ring of the chloro­phenyl substituent is twisted by 87.3 (1)° relative to the amino- and cyano-bearing aromatic ring. In the second mol­ecule, the respective dihedral angles are 26.1 (1) and 57.8 (1)°. The two independent mol­ecules are linked by N—H⋯N hydrogen bonds into dimers.
doi:10.1107/S1600536811040529
PMCID: PMC3247609  PMID: 22219914
4.  2-(4-Chloro­phen­yl)-4,5-diphenyl-1-(prop-2-en-1-yl)-1H-imidazole 
The title compound, C24H19ClN2, crystallizes with two independent mol­ecules in the asymmetric unit. The prop-2-enyl substituents on the imidazole rings adopt similar conformations in the two mol­ecules. The 4-and 5-substituted phenyl rings and the benzene ring make dihedral angles of 67.06 (8), 5.61 (8) and 41.09 (8)°, respectively, with the imadazole ring in one mol­ecule and 71.53 (8), 28.85 (8) and 41.87 (8)°, respectively, in the other. The crystal structure features C—H⋯π inter­actions and weak π–π stacking inter­actions [centroid–centroid distances = 3.6937 (10) and 4.0232 (10) Å] between the chloro­phenyl rings, which form a three-dimensional supramolecular structure.
doi:10.1107/S1600536813012592
PMCID: PMC3685034  PMID: 23795053
5.  (E)-1-(4-Amino­phen­yl)-3-(2-chloro­phen­yl)prop-2-en-1-one 
The title compound, C15H12ClNO, a substituted chalcone, adopts an E configuration with respect to the C=C bond of the enone unit. The mol­ecule is not planar, as can be seen from the dihedral angle of 28.9 (2)° between the two rings which are twisted from each other. The enone segment of the mol­ecule is not coplanar with the chloro­phenyl ring, making a dihedral angle of 23.4 (3)° with it. The amino group is also not coplanar with the ring to which it is bound, making a dihedral angle of 35 (4)°. In the crystal structure, adjacent mol­ecules are linked by N—H⋯O inter­actions into one-dimensional infinite chains along the c axis, and are further stacked as one-dimensional zigzag chains down the b axis, forming two-dimensional extended networks parallel to the bc plane.
doi:10.1107/S1600536808030456
PMCID: PMC2959457  PMID: 21201210
6.  1-{4-Chloro-2-[2-(2-fluoro­phen­yl)-1,3-dithio­lan-2-yl]phen­yl}-2-methyl-1H-imidazole-5-carbaldehyde 
There are two mol­ecules in the asymmetric unit of the title imidazole derivative, C20H16ClFN2OS2. In one mol­ecule, the dithiol­ane ring is disordered over two positions in a 0.849 (9):0.151 (10) ratio. The imidazole ring makes dihedral angles of 79.56 (9) and 18.45 (9)° with the 4-chloro­phenyl and 2-fluoro­phenyl rings, respectively, in one mol­ecule; in the other mol­ecule, the corresponding angles are 82.72 (9) and 17.39 (10)°. In the crystal, mol­ecules are linked by weak C—H⋯O inter­actions and these linked mol­ecules are stacked along the b axis by π–π inter­actions with a centroid–centroid distance of 3.4922 (11) Å. In addition, π–π inter­actions between the imidazole and 2-fluoro­phenyl rings are also observed, with centroid–centroid distances of 3.4867 (11) and 3.4326 (10) Å. The crystal is further consolidated by weak C—H⋯π inter­actions. Cl⋯S [3.5185 (8) Å], C⋯O [3.192 (3) Å] and C⋯C [3.326 (2)–3.393 (3) Å] short contacts are also observed.
doi:10.1107/S1600536811002595
PMCID: PMC3051534  PMID: 21523151
7.  Ethyl 2-[4-(morpholin-4-yl)phen­yl]-1-[3-(2-oxopyrrolidin-1-yl)prop­yl]-1H-1,3-benzimidazole-5-carboxyl­ate monohydrate 
The asymmetric unit of the title compound, C27H32N4O4·H2O, contains two independent benzimidazole-5-carboxyl­ate mol­ecules and two water mol­ecules. In both main mol­ecules, the pyrrolidine rings are in an envelope conformation with a methyl­ene C atom as the flap. The morpholine rings adopt chair conformations. Both benzimidazole rings are essentially planar, with maximum deviations of 0.008 (1) Å, and form dihedral angles of 37.65 (6) and 45.44 (6)° with the benzene rings. In one mol­ecule, an intra­molecular C—H⋯O hydrogen bond forms an S(7) ring motif. In the crystal, O—H⋯O and O—H⋯N hydrogen bonds connect pairs of main mol­ecules and pairs of water mol­ecules into two independent centrosymmetric four-compoment aggregates. These aggregates are connect by C—H⋯O hydrogen bonds leading to the formation of a three-dimensional network, which is stabilized by C—H⋯π interactions.
doi:10.1107/S1600536812039268
PMCID: PMC3470336  PMID: 23125749
8.  (Z)-3-(4-Chloro­phen­yl)-1-(2,4-difluoro­phen­yl)-2-(1H-1,2,4-triazol-1-yl)prop-2-en-1-one 
The asymmetric unit of the title compound, C17H10ClF2N3O, contains three independent mol­ecules. In each mol­ecule, the C=C bond has a cis conformation with respect to the triazole and chloro­phenyl groups. The dihedral angles formed by the triazole ring with the diflurophenyl and chloro­phenyl benzene rings, respectively, are 20.10 (14) and 73.22 (15), 25.31 (15) and 84.44 (15), and 16.44 (13) and 61.72 (14)° in the three mol­ecules while the dihedral angles between the benzene rings are 66.54 (13), 85.82 (12) and 58.37 (12)°.
doi:10.1107/S1600536812022118
PMCID: PMC3379402  PMID: 22719600
9.  (E)-3-(2-Chloro­phen­yl)-1-(4-nitro­phen­yl)prop-2-en-1-one 
In the title compound, C15H10ClNO3, a substituted chalcone, the 2-chloro­phenyl and 4-nitro­phenyl rings make a dihedral angle of 26.48 (6)°. The nitro group makes a dihedral angle of 11.64 (7)° with the plane of the benzene ring to which it is bound. Weak intra­molecular C—H⋯O and C—H⋯Cl inter­actions involving the enone groups generate S(5) ring motifs, which help to stabilize the planarity of the 3-(2-chloro­phen­yl)prop-2-en-1-one segment of the mol­ecule. In the crystal structure, adjacent mol­ecules are stacked in a head-to-tail fashion into columns along the a axis by π–π inter­actions [centroid–centroid distance = 3.6955 (8) Å]. Neighbouring columns are linked by weak C—H⋯O inter­actions.
doi:10.1107/S160053680801218X
PMCID: PMC2961413  PMID: 21202689
10.  Ethyl 2-(4-meth­oxy­phen­yl)-1-[3-(2-oxopyrrolidin-1-yl)prop­yl]-1H-benzimidazole-5-carboxyl­ate 
The asymmetric unit of the title compound, C24H27N3O4, contains two mol­ecules, A and B. The benzimidazole rings are essentially planar [maximum deviations = 0.0144 (10) and 0.0311 (8) Å in A and B, respectively]. The dihedral angle between the benzimidazole mean plane and its attached benzene ring is 36.90 (5) ° for mol­ecule A and 51.40 (5) ° for mol­ecule B. In both mol­ecules, the pyrrolidine ring adopts an envelope conformation with a C atom as the flap. In molecule B, the flap C atom is disordered over two positions in a 0.711 (6):0.289 (6) ratio. In the crystal, C—H⋯O inter­actions link the mol­ecules, generating [100] chains. The crystal packing also features weak π–π inter­actions between the imidazole and benzene rings [centroid–centroid distances = 3.8007 (7) and 3.8086 (7) Å] and between the benzene rings [centroid–centroid distance = 3.7001 (7) Å] and C—H⋯π inter­actions involving the benzene rings.
doi:10.1107/S1600536811055966
PMCID: PMC3275001  PMID: 22346946
11.  2-(3,4-Dimeth­oxy­phen­yl)-4,5-diphenyl-1-(prop-2-en-1-yl)-1H-imidazole 
In the title compound, C26H24N2O2, the planar 1H-imidazole ring makes dihedral angles of 35.78 (4), 26.35 (5) and 69.75 (5)°, respectively, with the dimeth­oxy­phenyl ring and the phenyl rings in the 4- and 5-positions. In the crystal, C—H⋯O hydrogen bonds connect neighbouring mol­ecules, forming infinite chains running along the b axis. Furthermore, the crystal structure exhibits a C—H-⋯π inter­action between a methyl H atom and a phenyl ring from an adjacent mol­ecule.
doi:10.1107/S1600536812039566
PMCID: PMC3470344  PMID: 23125757
12.  cis-Tetra­aqua­bis­{5-[4-(1H-imidazol-1-yl-κN 3)phen­yl]tetra­zolido}manganese(II) dihydrate 
In the title compound, [Mn(C10H7N6)2(H2O)4]·2H2O, the complex unit comprises an Mn2+ ion, coordinated by two imidazole N atoms from cis-related monodentate 5-[4-(imidazol-1-yl)phen­yl]tetra­zolide ligands and four water mol­ecules, together with two water mol­ecules of solvation. The Mn2+ ion lies on a twofold rotation axis and has a slightly distorted octa­hedral geometry. The mol­ecules are connected by O—H⋯N and O—H⋯O hydrogen bonds involving both coordinated and solvent water mol­ecules, generating a three-dimensional structure. Two C atoms of the imidazole ring of the ligand are each disordered over two sites with occupancy factors of 0.75 and 0.25.
doi:10.1107/S1600536812010380
PMCID: PMC3343820  PMID: 22589794
13.  Crystal structures of (R S)-N-[(1R,2S)-2-benz­yloxy-1-(2,6-di­methyl­phen­yl)prop­yl]-2-methyl­propane-2-sulfinamide and (R S)-N-[(1S,2R)-2-benz­yloxy-1-(2,4,6-tri­methyl­phen­yl)prop­yl]-2-methyl­propane-2-sulfinamide: two related protected 1,2-amino alcohols 
Mol­ecules of two related 1,2-amino alcohols are linked via N—H⋯O=S hydrogen bonds, forming chains along [100] for the first compound and along [010] for the second compound.
The title compounds, C22H31NO2S, (1), and C23H33NO2S, (2), are related protected 1,2-amino alcohols. They differ in the substituents on the benzene ring, viz. 2,6-di­methyl­phenyl in (1) and 2,4,6-tri­methyl­phenyl in (2). The plane of the phenyl ring is inclined to that of the benzene ring by 28.52 (7)° in (1) and by 44.65 (19)° in (2). In the crystal of (1), N—H⋯O=S and C—H⋯O=S hydrogen bonds link mol­ecules, forming chains along [100], while in (2), similar hydrogen bonds link mol­ecules into chains along [010]. The absolute structures of both compounds were determined by resonance scattering.
doi:10.1107/S1600536814022570
PMCID: PMC4257314  PMID: 25484747
crystal structure; sulfinamide; diastereomer; amino alcohol; hydrogen bonding; NMR; column chromatography
14.  1,3-Bis(3-phenyl­prop­yl)-1H-benzimidazol-3-ium-2-carbodithio­ate 
The title compound, C26H26N2S2, was synthesized from bis­[1,3-bis­(3-phenyl­prop­yl)benzimidazolidine-2-yl­idene] and CS2 in toluene. The mol­ecular structure is composed of a benzimidazole ring system with two phenyl­propyl substituents and a dithio­carboxyl­ate group in the 2-position. The benzimidazole unit is essentially planar, with a maximum atomic deviation of 0.008 (2) Å, and makes dihedral angles of 72.72 (10) and 27.62 (12)°, with the two phenyl rings. The dihedral angle between the two phenyl rings is 55.98 (15)°. The mol­ecular packing is stabilized by a C—H⋯S inter­molecular hydrogen-bonding inter­action and a C—H⋯π inter­action between a benzene H atom and the phenyl ring of a neighbouring mol­ecule.
doi:10.1107/S1600536808042761
PMCID: PMC2968085  PMID: 21581631
15.  Ethyl 6-(4-chloro­phen­yl)-4-(4-fluoro­phen­yl)-2-oxo­cyclo­hex-3-ene-1-carboxyl­ate 
The asymmetric unit of the title compound, C21H18ClFO3, contains two independent mol­ecules. In one mol­ecule (A), the 4-chloro­phenyl, oxo­cyclo­hex-3-ene, carboxyl­ate, and ethyl groups were refined as disordered over two sets of sites with a 0.684 (5):0.316 (5) ratio. The cyclo­hexene ring in the disordered mol­ecule is in a slightly distorted envelope conformation for the major component (with the C atom bound to the carboxylate group being the flap atom) and in a screw-boat conformation for the minor component. In the ordered mol­ecule (B), the cyclo­hexene ring is in a half-chair conformation. The dihedral angles between the mean planes of the fluoro- and chloro-substituted benzene rings are 89.9 (7) (only the major component is considered for A) and 76.4 (7)° (B). In the crystal, inversion dimers are observed along with weak C—H⋯O hydrogen bonds, which form chains along [100].
doi:10.1107/S1600536813031851
PMCID: PMC3885083  PMID: 24454259
16.  {2-[(1,3-Benzo­thia­zol-2-yl)meth­oxy]-5-fluoro­phen­yl}(4-chloro­phen­yl)methanone 
The asymmetric unit of the title compound, C21H13ClFNO2S, contains two independent mol­ecules with similar conformations. In the mol­ecules, the thia­zole ring is essentially planar [maximum atomic deviations = 0.014 (4) and 0.023 (5) Å] and is oriented with respect to the fluoro­phenyl ring and chloro­phenyl rings at 9.96 (18) and 70.39 (18)° in one mol­ecule and at 7.50 (18) and 68.43 (18)° in the other; the dihedral angles between the fluoro­phenyl and chloro­phenyl rings are 64.9 (2) and 64.6 (2)°, respectively. Inter­molecular C—H⋯O and C—H⋯F hydrogen bonds stabilize the three-dimensional supra­molecular architecture. Weak C—H⋯π and π–π inter­actions [centroid–centroid distance = 3.877 (3) Å] lead to a criss-cross mol­ecular packing along the c axis.
doi:10.1107/S1600536813014621
PMCID: PMC3772451  PMID: 24046594
17.  1-{(Z)-1-(2,4-Dichloro­phen­yl)-1-[2-(4-methyl­phen­oxy)eth­oxy]prop-1-en-2-yl}-1H-imidazol-3-ium nitrate 
In the title salt, C21H21Cl2N2O2 +·NO3 −, the imidazole ring makes dihedral angles of 43.39 (14) and 10.9 (2)° with the 4-methyl­phenyl and 2,4-dichloro­phenyl rings, respectively. The mol­ecule adopts a Z conformation about the C=C double bond, which links the imidazole ring to the 4-methyl­phen­oxy unit via an eth­oxy chain. In the crystal, cations and anions are linked into chains by N—H⋯O and C—H⋯O hydrogen bonds.
doi:10.1107/S1600536812046181
PMCID: PMC3588376  PMID: 23476414
18.  (2E)-1-(5-Chloro­thio­phen-2-yl)-3-(2,3-dimeth­oxy­phen­yl)prop-2-en-1-one 
In the title compound, C15H13ClO3S, the chloro­thio­phene and dimeth­oxy­phenyl groups are linked by a prop-2-en-1-one group. The C=C double bond exhibits an E conformation. The mol­ecule is non-planar, with a dihedral angle of 31.12 (5)° between the chloro­thio­phene and dimeth­oxy­phenyl rings. The meth­oxy group at position 3 is coplanar with the benzene ring to which it is attached, with a C—O—C—C torsion angle of −3.8 (3)°. The meth­oxy group attached at position 2 of the benzene ring is in a (+)synclinal conformation, as indicated by the C—O—C—C torsion angle of −73.6 (2)°. In the crystal, two different C—H⋯O inter­molecular inter­actions generate chains of mol­ecules extending along the b axis.
doi:10.1107/S1600536811037135
PMCID: PMC3201439  PMID: 22058781
19.  Crystal structure of (E)-1-(4′-meth­oxy-[1,1′-biphen­yl]-4-yl)-3-(3-nitro­phen­yl)prop-2-en-1-one 
The title compound crystallized with two independent mol­ecules in the asymmetric unit. In the crystal, they are linked to one another, forming chains enclosing (10) and (12) ring motifs.
The title compound, C22H17NO4, crystallizes with two independent mol­ecules (A and B) in the asymmetric unit. Each mol­ecule exists as an E isomer with C—C=C—C torsion angles of −175.69 (17) and −178.41 (17)° in A and B, respectively. In mol­ecule A, the planes of the terminal benzene rings are twisted by an angle of 26.67 (10)°, while the biphenyl unit is non-planar, the dihedral angle between the rings being 30.81 (10)°. The dihedral angle between the nitro­phenyl ring and the inner phenyl ring is 6.50 (9)°. The corresponding values in mol­ecule B are 60.61 (9), 31.07 (8) and 31.05 (9)°. In the crystal, mol­ecules are arranged in a head-to-head manner, with the 3-nitro­phenyl groups nearly parallel to one another. The A and B mol­ecules are linked to one another via C—H⋯O hydrogen bonds, forming chains lying parallel to (-320) and enclosing R 2 2(10) and R 2 2(12) ring motifs. The meth­oxy group in both mol­ecules is positionally disordered with a refined occupancy ratio of 0.979 (4):0.021 (4) for mol­ecule A and 0.55 (4):0.45 (4) for mol­ecule B.
doi:10.1107/S2056989014025110
PMCID: PMC4331905
crystal structure; chalcones; C—H⋯O hydrogen bonding; main-residue disorder
20.  N-[2-({[1-(4-Chloro­phen­yl)-1H-pyrazol-3-yl]­oxy}meth­yl)phen­yl]-N-meth­oxy­hydrazinecarboxamide 
In the title compound, C18H18ClN5O3, the hydrazinecarboxamide N—N—C(O)—N unit is nearly planar [maximum deviation = 0.074 (2) Å] and is inclined at a dihedral angle of 57.43 (7)° with respect to the plane of the attached benzene ring. The chloro­phenyl group makes dihedral angles of 19.71 (7) and 34.07 (6)° with the pyrazole and benzene rings, respectively. In the crystal, pairs of N—H⋯O hydrogen bonds link the mol­ecules into inversion dimers that are further linked into chains along the a-axis direction by N—H⋯N hydrogen bonds. In addition, π–π stacking inter­actions are observed between benzene rings [centroid–centroid distance = 3.680 (1) Å].
doi:10.1107/S1600536812038214
PMCID: PMC3470263  PMID: 23125707
21.  (E)-1-(4-Bromo­phen­yl)-3-(2-chloro­phen­yl)prop-2-en-1-one 
The structure of the title compound, C15H10BrClO, comprises two substituted benzene rings bridged by a prop-2-en-1-one group and exists in an E configuration about the C=N double bond. The dihedral angle formed between the 4-bromo­phenyl and 2-chloro­phenyl rings is 23.77 (18)°. In the crystal structure, the mol­ecules are linked by weak C—H⋯O inter­actions, forming a supra­molecular zigzag chain. Intramolecular C—H⋯Cl and C—H⋯O hydrogen bonds are also present.
doi:10.1107/S1600536808020795
PMCID: PMC2962094  PMID: 21203178
22.  1-{(1Z)-1-[6-(4-Chloro­phen­oxy)hex­y­l­oxy]-1-(2,4-difluoro­phen­yl)prop-1-en-2-yl}-1H-1,2,4-triazol-4-ium nitrate 
In the title compound, C23H25ClF2N3O2 +·NO3 −, the triazole ring makes dihedral angles of 60.9 (4) and 25.0 (3)° with the 6-chloro­phenyl and 2,4-difluoro­phenyl rings, respectively. The mol­ecule adopts a Z configuration about the C=C double bond. In the crystal, the cations and anions are linked by N—H⋯O hydrogen bonds and weak C—H⋯O inter­actions.
doi:10.1107/S1600536811034933
PMCID: PMC3201488  PMID: 22058762
23.  (2E)-1-(4-Bromo­phen­yl)-3-(4-fluoro­phen­yl)prop-2-en-1-one 
The title compound, C15H10BrFO, is isostructural with (2E)-1-(4-chloro­phen­yl)-3-(4-fluoro­phen­yl)prop-2-en-1-one [Qiu et al. (2006 ▶). Acta Cryst. E62, o3525–o3526], but the structures of other dihalogen analogues, without fluorine, are different, although they are also isostructural within the series. The mol­ecule is approximately flat, the dihedral angle between the ring planes being 8.49 (13)°. In the crystal structure, inter­molecular C—H⋯O, C—H⋯F and C—H⋯Br hydrogen bonds link mol­ecules into V-shaped ribbons running parallel to [101] and stacked with an inter­planar distance of approximately 3.53 Å (centroid–vcentroid distance = 3.857 Å)..
doi:10.1107/S1600536810015485
PMCID: PMC2979273  PMID: 21579262
24.  N-{4-[4-(4-Fluoro­phen­yl)-1-methyl-2-[(R)-methyl­sulfin­yl]-1H-imidazol-5-yl]-2-pyridyl}acetamide dihydrate 
In the crystal structure of the title compound, C18H17FN4O2S·2H2O, the organic mol­ecules are linked by inter­molecular O—H⋯O, O—H⋯N and N—H⋯O hydrogen bonds with the water mol­ecules, generating a three-dimensional network. The imidazole ring system forms a dihedral angle of 24.9 (2)° with the 4-fluoro­phenyl ring. The pyridine ring is oriented approximately perpendicular [72.24 (8)°] to the imidazole ring system.
doi:10.1107/S1600536809051873
PMCID: PMC2980079  PMID: 21580011
25.  (2E)-1-(5-Chloro­thio­phen-2-yl)-3-(2,4,5-trimeth­oxy­phen­yl)prop-2-en-1-one 
In the title mol­ecule, C16H15ClO4S, the chloro­thio­phene and trimeth­oxy­phenyl rings make a dihedral angle of 31.12 (5)°. The C=C double bond exhibits an E conformation. In the crystal, C—H⋯O inter­actions generate bifurcated bonds, linking the mol­ecules into chains along the b axis.
doi:10.1107/S1600536811028236
PMCID: PMC3213527  PMID: 22091106

Results 1-25 (157932)