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1.  (2E)-1-(4,4′′-Difluoro-5′-meth­oxy-1,1′:3′,1′′-terphenyl-4′-yl)-3-(2,6-difluoro­phen­yl)prop-2-en-1-one 
In the title compound, C28H18F4O2, the central benzene ring makes dihedral angles of 44.27 (6), 56.33 (5) and 77.27 (6)° with the two adjacent fluoro­benzene rings and terminal difluoro-substituted benzene ring, respectively. The dihedral angle between the fluoro­benzene rings is 87.81 (6)°. The meth­oxy and prop-2-en-1-one groups are essentially coplanar with their attached benzene rings, as indicated by their C—O—Car—Car [−0.06 (15)°] and C—C—Car—Car [4.5 (2)°] (ar = aromatic) torsion angles. In the crystal, mol­ecules are linked by C—H⋯F and C—H⋯O hydrogen bonds into sheets lying parallel to the ac plane. The crystal structure also features C—H⋯π inter­actions.
doi:10.1107/S160053681201820X
PMCID: PMC3344658  PMID: 22590420
2.  (2E)-3-(4-Cyano­phen­yl)-1-(4,4′′-difluoro-5′-meth­oxy-1,1′:3′,1′′-terphenyl-4′-yl)prop-2-en-1-one 
In the title compound, C29H19F2NO2, the central benzene ring forms a dihedral angle of 56.92 (12)° with the cyano­benzene ring and dihedral angles of 40.91 (12) and 44.76 (12)° with the two fluoro­benzene rings. In the crystal, C—H⋯O and C—H⋯F hydrogen bonds link the mol­ecules into sheets lying parallel to the ab plane. The crystal packing also features C—H⋯π inter­actions involving the central benzene ring.
doi:10.1107/S1600536812023124
PMCID: PMC3379440  PMID: 22719638
3.  (2E)-3-(3-Bromo-4-meth­oxy­phen­yl)-1-(4,4′′-difluoro-5′-meth­oxy-1,1′:3′,1′′-terphenyl-4′-yl)prop-2-en-1-one 
In the title compound, C29H21BrF2O3, the dihedral angles between the central anisole ring and the pendant fluoro­benzene rings are 48.86 (19) and 31.89 (18)°. The dihedral angle between the anisole ring and the 1-bromo-2-meth­oxy­benzene ring linked via the enone bridge is 82.95 (17)°. In the crystal, C—H⋯O hydrogen bonds link the mol­ecules into C(11) chains propagating along [010].
doi:10.1107/S1600536811050884
PMCID: PMC3239135  PMID: 22199983
4.  (2E)-3-(2-Bromo­phen­yl)-1-(4,4′′-difluoro-5′-meth­oxy-1,1′:3′,1′′-terphenyl-4′-yl)prop-2-en-1-one 
In the title compound, C28H19BrF2O2, the central benzene ring makes dihedral angles of 62.51 (18), 46.23 (18) and 48.19 (18)° with the bromo-substituted benzene ring and two terminal fluoro-substituted benzene rings, respectively. In the crystal, mol­ecules are linked by C—H⋯F hydrogen bonds into infinite chains along [110]. Weak C—H⋯π and π–π inter­actions [centroid–centroid distance = 3.683 (2) Å] also occur and short inter­molecular F⋯F contacts [2.833 (4) Å] are observed.
doi:10.1107/S1600536812013852
PMCID: PMC3344456  PMID: 22590218
5.  (E)-1-(4,4′′-Difluoro-5′-meth­oxy-1,1′:3′,1′′-terphenyl-4′-yl)-3-(4-methyl­phen­yl)prop-2-en-1-one 
In the meta-terphenyl fragment of the title mol­ecule, C29H22F2O2, the two fluoro­phenyl rings are twisted from the central benzene ring by 46.72 (6) and 41.70 (6)°, respectively. In the crystal, weak C—H⋯O and C—H⋯F hydrogen bonds link the mol­ecules into layers parallel to the ab plane. The crystal packing exhibits π–π inter­actions, the shortest distance between the centroids of aromatic rings being 3.6364 (7) Å.
doi:10.1107/S160053681104579X
PMCID: PMC3238850  PMID: 22199703
6.  2-Amino-4-(4-fluoro­phen­yl)-6-meth­oxy-4H-benzo[h]chromene-3-carbonitrile 
In the title mol­ecule, C21H15FN2O2, the dihedral angle between the fluoro-substituted benzene ring and the mean plane of the 4H-benzo[h]chromene ring system [maximum deviation = 0.109 (2) Å] is 83.35 (7)°. The pyran ring adopts a slight sofa conformation with the tertiary C(H) atom forming the flap. The meth­oxy group is slightly twisted from the attached benzene ring of the 4H-benzo[h]chromene moiety [C—O—C—C = −4.3 (3)°]. In the crystal, mol­ecules are linked by inter­molecular N—H⋯N hydrogen bonds into infinite wave-like chains along the b axis. The crystal packing is further stabilized by π–π inter­actions [centroid–centroid distance = 3.7713 (9) Å].
doi:10.1107/S1600536812023021
PMCID: PMC3379488  PMID: 22719686
7.  (2E)-1-(4,4′′-Difluoro-5′-meth­oxy-1,1′:3′,1′′-terphenyl-4′-yl)-3-[4-(methyl­sulfan­yl)phen­yl]prop-2-en-1-one 
In the title compound, C29H22F2O2S, the central benzene ring makes dihedral angles of 45.83 (7), 38.90 (7) and 55.50 (7)° with the two fluoro-substituted benzene rings and the methyl­sulfanyl-substituted benzene ring, respectively. In the crystal, C—H⋯O contacts connect the mol­ecules into layers lying perpendicular to the c axis. In addition, π–π stacking inter­actions between one of the fluoro­phenyl groups [centroid–centroid distances = 3.681 (1) and 3.818 (1) Å] are observed.
doi:10.1107/S1600536812030139
PMCID: PMC3414306  PMID: 22904839
8.  (E)-1-(4,4′′-Difluoro-5′-meth­oxy-1,1′:3′,1′′-terphenyl-4′-yl)-3-(6-meth­oxy­naphthalen-2-yl)prop-2-en-1-one 
In the title compound, C33H24F2O3, the central benzene ring makes dihedral angles of 44.71 (10), 47.80 (10) and 63.68 (9)° with the two fluoro-substituted benzene rings and the naphthalene ring system, respectively. In the crystal, mol­ecules are connected via inter­molecular C—H⋯F and C—H⋯O hydrogen bonds. Furthermore, the crystal structure is stabilized by weak C—H⋯π and π–π inter­actions [centroid–centroid distance = 3.6816 (13) Å].
doi:10.1107/S1600536811047660
PMCID: PMC3238976  PMID: 22199825
9.  (E)-3-(2-Eth­oxy­phen­yl)-1-{4-[(2-fluoro­phen­yl)(4-fluoro­phen­yl)meth­yl]piperazin-1-yl}prop-2-en-1-one 
In the title compound, C28H28F2N2O2, the piperazine ring has a chair conformation with the pendant N—C bonds in equatorial orientations. The C=C double bond has an E conformation and the dihedral angle between the fluoro­benzene rings is 70.8 (3)°. In the crystal, mol­ecules are linked by C—H⋯O and C—H⋯F hydrogen bonds.
doi:10.1107/S1600536812024130
PMCID: PMC3379522  PMID: 22719720
10.  2-(4-Fluoro­phen­yl)-1-(4-meth­oxy­phen­yl)-1H-phenanthro[9,10-d]imidazole 
In the title compound, C28H19FN2O, the phenanthrene fused with an imidazole ring, constituting an essentially planar tetra­cyclic system [maximum deviation = 0.032 (2) Å], makes dihedral angles of 60.83 (4) and 80.55 (4)° with the fluoro­benzene and meth­oxy­benzene rings, respectively. The dihedral angle between the the meth­oxy­benzene and fluoro­benzene rings is 69.45 (6)°. In the crystal, C—H⋯O hydrogen bonds connect the mol­ecules into infinite strands along the b axis. The crystal structure is further consolidated by C—H⋯π inter­actions.
doi:10.1107/S1600536813003504
PMCID: PMC3588432  PMID: 23476557
11.  (2E)-1-(2,6-Dichloro-3-fluoro­phen­yl)-3-(4-meth­oxy­phen­yl)prop-2-en-1-one 
There are two independent mol­ecules in the asymmetric unit of the title compound, C16H11Cl2FO2. The F atom equally populates both meta positions of the 6-dichloro-3-fluoro­phenyl ring in each mol­ecule, resulting in 0.5 occupancy for both the F and H atoms in these positions. The dihedral angle between the mean planes of the benzene rings are 77.5 (2) and 89.8 (8)°in the two mol­ecules. In the crystal, weak C—H⋯F and C—H⋯O inter­actions involving the half-occupied H and F atoms are observed. Weak π–π stacking inter­actions [centroid—centroid distance = 3.150 (2) Å] also contribute to the crystal stability.
doi:10.1107/S1600536812011841
PMCID: PMC3344105  PMID: 22606108
12.  (E)-1-{4-[Bis(4-fluoro­phen­yl)meth­yl]piperazin-1-yl}-3-(4-eth­oxy­phen­yl)prop-2-en-1-one 
In the title mol­ecule, C28H28F2N2O2, the ethene bond exhibits an E conformation and the piperazine ring adopts a chair conformation. The amide-N atom of the piperazine ring is almost planar (bond-angle sum = 358.8°) whereas the other N atom is clearly pyramidal (bond-angle sum = 330.5°). The dihedral angle between the fluoro­benzene rings is 76.36 (17)°. In the crystal, inversion dimers linked by pairs of C—H⋯O hydrogen bonds generate R 2 2(22) loops.
doi:10.1107/S160053681104801X
PMCID: PMC3238988  PMID: 22199837
13.  3-Amino-1-(4-fluoro­phen­yl)-7-meth­oxy-1H-benzo[f]chromene-2-carbonitrile 
In the title compound, C21H15FN2O2, the furan ring has a flattened half-chair conformation [the methine C atom lies 0.136 (2) Å above the C5 plane which has an r.m.s. deviation of 0.0229 Å]. Overall, the 1H-benzo[f]chromene fused-ring system approximates a plane (r.m.s. deviation of the 14 non-H atoms = 0.049 Å). The fluoro­benzene ring is almost perpendicular to this plane [dihedral angle = 89.58 (8)°]. Zigzag supra­molecular tapes along the b axis are the most notable feature of the crystal packing. This arises through an alternating sequence of 12-membered {⋯HNC3N}2 and eight-membered {⋯HNCO}2 synthons. These are connected into a three-dimensional architecture by π–π [inter­centroid distance for centrosymmetrically related fluoro­benzene rings = 3.5181 (10) Å] and C—H⋯π inter­actions.
doi:10.1107/S1600536813005473
PMCID: PMC3629516  PMID: 23634034
14.  Ethyl 2-amino-4-(4-fluoro­phen­yl)-6-meth­oxy-4H-benzo[h]chromene-3-carboxyl­ate 
In the title compound, C23H20FNO4, the fluoro-substituted benzene ring is approximately perpendicular to the mean plane of the 4H-benzo[h]chromene ring system [maximum deviation = 0.264 (1) Å], with a dihedral angle of 83.79 (6)°. The pyran ring adopts a flattened boat conformation. The meth­oxy group is slightly twisted from the attached benzene ring of the 4H-benzo[h]chromene moiety [C—O—C—C = −2.1 (2)°]. An intra­molecular N—H⋯O hydrogen bond generates an S(6) ring motif. In the crystal, mol­ecules are linked by N—H⋯O and N—H⋯F hydrogen bonds into a layer parallel to the bc plane. The crystal packing also features C—H⋯π inter­actions.
doi:10.1107/S1600536812021939
PMCID: PMC3379378  PMID: 22719576
15.  (E)-1-(4,4′′-Difluoro-5′-meth­oxy-1,1′:3′,1′′-terphenyl-4′-yl)-3-(4-nitro­phen­yl)prop-2-en-1-one 
In the title compound, C28H19F2NO4, a polysubstituted terphenyl derivative bearing a Michael system, the C=C double bond has an E configuration. Two C—H⋯F contacts connect mol­ecules into inversion dimers. In addition, a C–H⋯π as well as a C–F⋯π contact can be identified. The shortest centroid–centroid distance between two aromatic rings is 3.9535 (8) Å, between one of the para-fluoro­benzene rings and its symmetry-generated equivalent.
doi:10.1107/S1600536811045806
PMCID: PMC3238849  PMID: 22199702
16.  Methyl 4,4′′-difluoro-5′-meth­oxy-1,1′:3′,1′′-terphenyl-4′-carboxyl­ate 
In the title compound, C21H16F2O3, the pendant fluoro­benzene rings form dihedral angles of 22.22 (12) and 50.74 (11)° with the central benzene ring. In the crystal, mol­ecules are linked by C—H⋯O hydrogen bonds into chains along the a axis. The crystal structure also features C—H⋯π inter­actions.
doi:10.1107/S1600536811048719
PMCID: PMC3239031  PMID: 22199879
17.  (E)-1-(4,4′′-Difluoro-5′-meth­oxy-1,1′:3′,1′′-terphenyl-4′-yl)-3-(4-meth­oxy­phen­yl)prop-2-en-1-one 
The title compound, C29H22F2O3, is a meta-terphenyl derivative featuring a Michael-system-derived substituent with an E-configured C=C function. In the crystal, C—H⋯O and C—H⋯F contacts connect the mol­ecules into planes parallel to (101). The shortest centroid–centroid distance between two aromatic systems is 3.7169 (7) Å and is apparent between the terminal benzene ring of the Michael-system-derived substituent and its symmetry-generated equivalent.
doi:10.1107/S1600536811047696
PMCID: PMC3238973  PMID: 22199822
18.  4-[Bis(4-fluoro­phen­yl)meth­yl]-1-[(2E)-3-phenyl­prop-2-en-1-yl]piperazin-1-ium 3-carb­oxy­propano­ate 
In the title salt, C26H27F2N2 +·C4H5O4 −, the piperazine N atom bearing the vinylic substituent is protonated. The piperazine ring adopts a chair conformation. In ther crystal, the succinate monoanions are connected via short O—H⋯O hydrogen bonds between the carb­oxy­lic acid and carboxyl­ate groups into undulating chains extending along [001] and the flunarizinium monocations are attached to these chains via N+—H⋯O− hydrogen bonds. C—H⋯O inter­actions connect these chains into a three-dimensional network. The shortest centroid–centroid distance of 3.7256 (10) Å was found between one of the fluorinated benzene rings and the non-fluorinated phenyl ring in the neighbouring mol­ecule related by a glide plane.
doi:10.1107/S1600536813000706
PMCID: PMC3569791  PMID: 23424537
19.  1-[Bis(4-fluoro­phen­yl)meth­yl]-4-[(2Z)-3-phenyl­prop-2-en-1-yl]piperazine-1,4-diium dichloride hemihydrate 
The asymmetric unit of the title monohydrated salt, 2C26H28F2N2 2+·4Cl−.H2O, consists of a 1-[bis­(4-fluoro­phen­yl)meth­yl]-4-[(2Z)-3-phenyl­prop-2-en-1-yl]piperazine-1,4-diium cation with a diprotonated piperizine ring in close proximity to two chloride anions and a single water mol­ecule that lies on a twofold rotation axis. In the cation, the piperazine ring adopts a slightly distorted chair conformation. The dihedral angles between the phenyl ring and the 4-fluoro­phenyl rings are 89.3 (9) and 35.0 (5)°. The two fluoro­phenyl rings are inclined at 65.0 (5)° to one another. In the crystal, N—H⋯Cl hydrogen bonds and weak C—H⋯Cl inter­molecular inter­actions link the mol­ecules into chains along [010]. In addition, weak C—H⋯O inter­actions between the piperizine and prop-2-en-1-yl groups with the water mol­ecule, along with weak C—H⋯Cl inter­actions between the prop-2en-1-yl and methyl groups with the chloride ions, weak C—H⋯F inter­actions between the two fluoro­phenyl groups and weak O—H⋯Cl inter­actions between the water mol­ecule and chloride ions form a three-dimensional supra­molecular network.
doi:10.1107/S1600536814011064
PMCID: PMC4051083  PMID: 24940270
20.  (E)-1-(4,4′′-Difluoro-5′-meth­oxy-1,1′:3′,1′′-terphenyl-4′-yl)-3-phenyl­prop-2-en-1-one 
The title compound, C28H20F2O2, is a polysubstituted terphenyl derivative bearing a Michael system. The C=C double bond is E configured. In the crystal, C—H⋯O and C—H⋯F contacts connect the mol­ecules, forming undulating sheets that lie perpendicular to the crystallographic a axis. The shortest π–π inter­action [centroid–centroid distance = 3.7163 (7) Å] involves the para-fluoro­phenyl ring in the para position to the Michael system, and its symmetry-generated equivalent.
doi:10.1107/S1600536811045375
PMCID: PMC3238831  PMID: 22199684
21.  4-(2-Fluoro­phen­yl)-2-meth­oxy-5,6,7,8,9,10-hexa­hydro­cyclo­octa­[b]pyridine-3-carbo­nitrile 
In the title compound, C19H19FN2O, the cyclo­octene ring adopts a twisted boat–chair conformation. The dihedral angle between the plane of the fluorophenyl substituent and that of the pyridine ring is 76.39 (8)°. The F and ortho-H atoms of the fluoro­benzene ring are disordered, with occupancy factors of 0.226 (5) and 0.774 (5). In the crystal, no significant inter­actions are observed between the mol­ecules beyond van der Waals contacts.
doi:10.1107/S1600536814016365
PMCID: PMC4158480  PMID: 25249918
crystal structure; cyclo­octa­[b]pyridine; carbo­nitrile compounds
22.  3-Amino-1-(4-fluoro­phen­yl)-8-meth­oxy-1H-benzo[f]chromene-2-carbonitrile 
The title compound, C21H15FN2O2, features an approximately planar 1H-benzo[f]chromene fused-ring system (r.m.s. deviation for the 14 non-H atoms = 0.052 Å), with the fluoro­benzene ring being almost perpendicular to this [dihedral angle = 85.30 (7) °]. The furan ring has a flattened half-chair conformation, with the methine C atom deviating by 0.132 (2) Å from the plane of the remaining atoms (r.m.s. deviation = 0.0107 Å). In the crystal, inversion dimers are formed via pairs of amine–cyano N—H⋯N hydrogen bonds. The dimers are connected into a three-dimensional architecture by C—H⋯N(cyano), C—H⋯π and π–π [inter­centroid distance = 3.6671 (10) Å] inter­actions.
doi:10.1107/S160053681300545X
PMCID: PMC3629515  PMID: 23634033
23.  (2E)-1-(4,4′′-Difluoro-5′-meth­oxy-1,1′:3′,1′′-terphenyl-4′-yl)-3-(4-fluoro­phen­yl)prop-2-en-1-one 
In the title compound, C28H19F3O2, the C=C double bond has an E configuration. In the crystal, C—H⋯F contacts link the mol­ecules into chains along [111]. The shortest centroid–centroid distance between two π systems is 3.8087 (8) Å and is apparent between the para-fluoro­phenyl group attached to the Michael system and its symmetry-generated equivalent.
doi:10.1107/S1600536811042279
PMCID: PMC3247397  PMID: 22220015
24.  (E)-1-[2-Hy­droxy-4,6-bis­(meth­oxy­meth­oxy)phen­yl]-3-[3-meth­oxy-4-(meth­oxy­meth­oxy)phen­yl]prop-2-en-1-one 
The title compound, C22H26O9, crystallizes with two independent mol­ecules in the asymmetric unit in which the dihedral angles between the two benzene rings are 21.4 (2) and 5.1 (2)°. An intra­molecular O—H⋯O hydrogen bond occurs in each mol­ecule. Inter­molecular C—H⋯O hydrogen bonds stabilize the crystal structure.
doi:10.1107/S1600536811041213
PMCID: PMC3247344  PMID: 22219962
25.  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.
doi:10.1107/S1600536811025141
PMCID: PMC3212305  PMID: 22090962

Results 1-25 (246188)