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1.  N-(4-Bromo­phen­yl)acetamide: a new polymorph 
A new polymorph of the title compound, C8H8BrNO, has been determined at 173 K in the space group P21/c. The previous room-temperature structure was reported to crystallize in the ortho­rhom­bic space group Pna21 [Andreetti et al. (1968 ▶). Acta Cryst. B24, 1195–1198]. In the crystal, mol­ecules are linked by N—H⋯O hydrogen bonds forming chains along [010]. Weak C—H⋯π inter­actions are also present.
doi:10.1107/S1600536813005448
PMCID: PMC3588444  PMID: 23476627
2.  (2E)-3-(4-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 C=C double bond is E-configured. In the crystal, C—H⋯O and C—H⋯F contacts connect mol­ecules into planes perpendicular to the c axis. The shortest centroid–centroid distance between two aromatic systems is 3.6745 (12) Å between one of the para-fluoro­phenyl rings and its symmetry-generated equivalent.
doi:10.1107/S1600536812046831
PMCID: PMC3589015  PMID: 23476251
3.  4-Meth­oxy-4-methyl-6-phenyl-1,3-diazinane-2-thione 
In the title pyrimidine derivative, C12H16N2OS, the tetra­hydro­pyrimidine ring adopts an envelope conformation with the C atom of the methyl­ene –CH2– group as the flap. In the crystal, N—H⋯O and N—H⋯S hydrogen bonds connect mol­ecules into undulating sheets perpendicular to the a axis.
doi:10.1107/S1600536812044662
PMCID: PMC3588820  PMID: 23468785
4.  3,5-Bis(4-fluoro­phen­yl)-1-(4-nitro­phen­yl)-4,5-dihydro-1H-pyrazole 
In the title compound, C21H15F2N3O2, a pyrazole derivative bearing three aromatic substituents, the central five-membered heterocyclic ring makes dihedral angles of 1.77 (14), 3.68 (13) and 72.15 (14)° with the three benzene rings. In the crystal, C—H⋯O and C—H⋯F inter­actions connect the mol­ecules into double layers parallel to the bc plane.
doi:10.1107/S160053681204370X
PMCID: PMC3515302  PMID: 23284522
5.  N′-[(E)-4-Hy­droxy­benzyl­idene]-2-(naph­tha­len-2-yl­oxy)acetohydrazide 
The asymmetric unit of the title compound, C19H16N2O3, contains two independent mol­ecules in which the dihedral angles between the naphthalene ring system and the benzene ring are 10.0 (1) and 35.3 (1)°. In the crystal, mol­ecules are linked by N—H⋯O and O—H⋯O hydrogen bonds, forming a two-dimensional framework parallel to (001). Weak C—H⋯O and C—H⋯N hydrogen bonds complete a three-dimensional network.
doi:10.1107/S1600536812038408
PMCID: PMC3470300  PMID: 23125713
6.  N-(1,3-Dioxo-2,3-dihydro-1H-isoindol-2-yl)-4,4′′-difluoro-5′-hy­droxy-1,1′:3′,1′′-terphenyl-4′-carboxamide 
The asymmetric unit of the title compound, C27H16F2N2O4, consists of two crystallographically independent mol­ecules (A and B). In mol­ecule B, the isoindoline-1,3-dione ring system is disordered over two set of sites with a site-occupancy ratio of 0.658 (12):0.342 (12). In mol­ecule A, the fluoro-substituted benzene rings make dihedral angles of 18.36 (8) and 46.37 (8)° with the central benzene ring, whereas the corresponding angles are 40.90 (8) and 52.89 (9)° in mol­ecule B. The isoindoline ring system in mol­ecule A and the major and minor components of the disordered isoindoline ring system in mol­ecule B make dihedral angles of 58.50 (4), 54.13 (16) and 70.01 (28) °, respectively, with their attached benzene rings, linked through the amide group. An intra­molecular O—H⋯O hydrogen bond generates an S(6) ring in each mol­ecule. In the crystal, mol­ecules are linked by N—H⋯O, C—H⋯F and C—H⋯O hydrogen bonds into sheets lying parallel to the bc plane. The crystal studied was a non-merohedral twin with a refined twin component ratio of 0.9316 (8):0.0684 (8).
doi:10.1107/S160053681203365X
PMCID: PMC3435648  PMID: 22969521
7.  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.
doi:10.1107/S1600536812030516
PMCID: PMC3414322  PMID: 22904855
8.  (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
9.  (2E)-1-(4,4′′-Difluoro-5′-meth­oxy-1,1′:3′,1′′-terphenyl-4′-yl)-3-(2-fluoro­phen­yl)prop-2-en-1-one 
In the title compound, C28H19F3O2, the central benzene ring forms dihedral angles of 48.69 (6), 60.93 (6) and 42.06 (6)° with the fluoro­benzene rings. In the crystal, inter­molecular C—H⋯O and C—H⋯F hydrogen bonds link the mol­ecules, forming an undulating two-dimensional network parallel to the bc plane. C—H⋯π inter­actions further consolidate the crystal packing.
doi:10.1107/S1600536812024981
PMCID: PMC3393293  PMID: 22807850
10.  (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
11.  3,5-Bis(4-fluoro­phen­yl)isoxazole 
In the crystal structure of the title compound, C15H9F2NO, the complete mol­ecule is generated by a crystallographic twofold rotation axis and the O and N atoms of the central isoxazole ring are statistically disordered with equal site occupancies. The terminal benzene rings form a dihedral angle of 24.23 (3)° with the isoxazole ring. The dihedral angle between the benzene rings is 47.39 (2)°. No significant inter­molecular inter­actions are observed.
doi:10.1107/S160053681202171X
PMCID: PMC3379362  PMID: 22719560
12.  [2,6-Bis(biphenyl-4-yl)-4-hy­droxy-4-(pyridin-2-yl)cyclo­hexane-1,3-di­yl]bis­[(pyridin-2-yl)methanone]–butan-2-one (1/1) 
In the title solvate, C47H37N3O3·C4H8O, the cyclo­hexane ring adopts a chair conformation and the plane through its near coplanar atoms forms dihedral angles of 82.58 (7), 89.27 (7), 60.30 (8), 54.54 (7) and 72.03 (7)°, respectively, with the three pyridine rings and the two attached benzene rings. The rings of the biphenyl units are twisted from each other, making dihedral angles of 35.27 (7) and 45.41 (7)°. All the rings are in equatorial orientations in the cyclo­hexane ring, except for the C=O-bonded pyridine ring in position 1, which is axial. Intra­molecular O—H⋯N and C—H⋯O hydrogen bonds form one S(5) and three S(6) ring motifs. In the crystal, mol­ecules are linked via C—H⋯O hydrogen bonds into a chain along the c axis. The crystal structure also features weak C—H⋯π inter­actions and aromatic π–π stacking [centroid–centroid distances = 3.5856 (10) and 3.7090 (9) Å].
doi:10.1107/S1600536812019241
PMCID: PMC3379237  PMID: 22719435
13.  (E)-3-(2-Chloro­phen­yl)-1-(4,4′′-difluoro-5′-meth­oxy-1,1′:3′,1′′-terphenyl-4′-yl)prop-2-en-1-one 
The title compound, C28H19ClF2O2, is a polysubstituted terphenyl derivative bearing a Michael system in which the C=C double bond has an E conformation. In the crystal, C—H⋯Cl and C—H⋯O contacts connect the mol­ecules into layers lying perpendicular to the a axis. The shortest inter­centroid distance between symmetry-related 4-fluoro­phenyl groups is 3.7547 (16) Å.
doi:10.1107/S1600536812017692
PMCID: PMC3344640  PMID: 22590402
14.  (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
15.  (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
16.  1-[3-(4-Chloro­phen­yl)-5-(4-meth­oxy­phen­yl)-4,5-dihydro-1H-pyrazol-1-yl]ethanone 
In the title compound, C18H17ClN2O2, the benzene rings form dihedral angles of 6.69 (6) and 74.88 (5)° with the 4,5-dihydro-1H-pyrazole ring. The benzene rings form a dihedral angle of 76.67 (5)° with each other. In the crystal, mol­ecules are linked via bifurcated (C,C)–H⋯O hydrogen bonds into chains along [010]. The crystal structure is further consolidated by C—H⋯π inter­actions.
doi:10.1107/S1600536812009439
PMCID: PMC3343987  PMID: 22589896
17.  1-[3-(4-Chloro­phen­yl)-5-(4-meth­oxy­phen­yl)-4,5-dihydro-1H-pyrazol-1-yl]butan-1-one 
In the title compound, C20H21ClN2O2, the benzene rings form dihedral angles of 6.35 (5) and 81.82 (5)° with the mean plane of the 4,5-dihydro-1H-pyrazole ring (r.m.s. deviation = 0.145 Å). This latter ring adopts an envelope conformation with the CH grouping as the flap. The dihedral angle between the benzene rings is 75.63 (4)°. In the crystal, mol­ecules are linked by C—H⋯Cl and C—H⋯O hydrogen bonds into chains along [-201]. The crystal structure also features C—H⋯π inter­actions.
doi:10.1107/S1600536812009105
PMCID: PMC3343949  PMID: 22590030
18.  2-[3,5-Bis­(4-fluoro­phen­yl)-4,5-dihydro-1H-pyrazol-1-yl]-4,6-bis(4-fluoro­phenyl)pyrimidine 
In the title compound, C31H20F4N4, the pyrazole ring adopts an envelope conformation and forms a dihedral angle of 9.91 (6)° with the adjacent pyrimidine ring. The pyrimidine ring forms dihedral angles of 9.23 (6) and 2.16 (5)° with its adjacent fluoro-substituted benzene rings, whereas these angles are 88.22 (6) and 9.66 (6)° for the pyrazole ring and its adjacent benzene rings. In the crystal, mol­ecules are linked by C—H⋯F hydrogen bonds into ribbons along [01-1]. The crystal packing is further stabilized by C—H⋯π and by π–π inter­actions, with centroid–centroid distances of 3.7428 (7) and 3.7630 (6) Å.
doi:10.1107/S1600536812006976
PMCID: PMC3297871  PMID: 22412674
19.  (6Z)-3,5-Bis(4-fluoro­phen­yl)-6-(1-hy­droxy­ethyl­idene)cyclo­hex-2-en-1-one 
In the title compound, C20H16F2O2, the cyclo­hex-2-en-1-one ring adopts a distorted envelope conformation and the dihedral angles between its six-atom mean plane and the fluorophenyl rings are 38.9(8) and 82.3(1)°. The two fluoro­phenyl rings are oriented at an angle of 77.3 (3)°. The long hy­droxy O—H bond length of 1.22 (3) and the H⋯O distance of 1.28 (3) Å, together with a longer than expected C=O bond length [1.290 (2) Å] in the hy­droxy(en-1-one) group, indicate sharing of the H atom as O⋯H⋯O between the two O atoms and the influence of electron delocalization. Weak C—H⋯O inter­molecular inter­actions form an infinite two-dimensional network in (011).
doi:10.1107/S1600536812003078
PMCID: PMC3295432  PMID: 22412543
20.  Ethyl ({5-[5′-(2-eth­oxy-2-oxoeth­oxy)-4,4′′-difluoro-1,1′:3′,1′′-terphenyl-4′-yl]-1,3,4-oxadiazol-2-yl}sulfan­yl)acetate 
In the title compound, C28H24F2N2O6S, the whole mol­ecule is disordered over two sites with refined occupancies of 0.778 (3) and 0.222 (3). The central benzene ring makes dihedral angles of 56.0 (4), 34.5 (4) and 70.9 (4)°, respectively, with the two terminal benzene rings and the 1,3,4-oxadiazole ring in the major component of the disordered mol­ecule. The corresponding angles in the minor component are 59.7 (16), 25.6 (13) and 75.5 (14)°. In the crystal, mol­ecules are linked via C—H⋯F, C—H⋯N, C—H⋯O and C—H⋯S hydrogen bonds into a three-dimensional network. In addition, C—H⋯π inter­actions are observed.
doi:10.1107/S1600536812005028
PMCID: PMC3295461  PMID: 22412572
21.  Ethyl 2-amino-4,6-bis­(4-fluoro­phen­yl)cyclo­hexa-1,3-diene-1-carboxyl­ate 
In the title compound, C21H19F2NO2, the cyclo­hexa-1,3-diene ring is in a distorted envelope conformation. The dihedral angles between the mean planes of the diene moiety and the two fluoro­phenyl rings are 42.8 (2) and 75.0 (5)°. The two fluoro­phenyl rings are inclined to one another by 87.0 (3)°. In the crystal, intra­molecular N—H⋯O hydrogen bonds and weak N—H⋯O and N—H⋯F inter­molecular inter­actions are observed forming an infinite two-dimensional network along [011].
doi:10.1107/S160053681200373X
PMCID: PMC3297311  PMID: 22412501
22.  2,2′-(Disulfanedi­yl)bis­[4,6-(4-fluoro­phen­yl)pyrimidine] 
The title compound, C32H18F4N4S2, is a disulfide symmetric­ally substituted with two diaza-meta-terphenyl groups. In the crystal, the mol­ecule adopts a twisted conformation with a C—S—S—C torsion angle of −91.82 (7)°. One of the 4,6-(4-fluoro­phen­yl)pyrimidine groups is virtually planar, with dihedral angles between the pyrimidine and benzene groups of 4.00 (8) and 5.44 (8)°, wheares the other is non-planar with analogues dihedral angles of 18.69 (8) and 26.60 (8)°. The planar 4,6-(4-fluoro­phen­yl)pyrimidine groups are involved in π–π stacking inter­actions via their 4-fluoro­phenyl groups [centroid–centroid distances of 3.8556 (11) and 3.9284 (11) Å] that assemble the mol­ecules into columns extended along the a axis. In addition, the structure is stabilized by C—F⋯π [F⋯centroid = 3.4017 (16) Å], C—H⋯F and C—H⋯π inter­actions.
doi:10.1107/S1600536812001912
PMCID: PMC3275226  PMID: 22347082
23.  Ethyl 4,4′′-difluoro-5′-meth­oxy-1,1′:3′,1′′-terphenyl-4′-carboxyl­ate 
In the title compound, C22H18F2O3, the two fluoro-substituted rings form dihedral angles of 25.89 (15) and 55.00 (12)° with the central benzene ring. The eth­oxy group in the mol­ecule is disordered over two positions with a site-occupancy ratio of 0.662 (7):0.338 (7). In the crystal, mol­ecules are linked by C—H⋯O hydrogen bonds into chains along the a axis. The crystal packing is further stabilized by C—H⋯π and π—π inter­actions, with centroid–centroid distances of 3.8605 (15) Å.
doi:10.1107/S160053681105344X
PMCID: PMC3254511  PMID: 22259456
24.  1-(4,4′′-Difluoro-5′-meth­oxy-1,1′:3′,1′′-terphenyl-4′-yl)ethanone 
In the title compound, C21H16F2O2, the central benzene ring is inclined at dihedral angles of 30.91 (8) and 46.88 (7)° to the two terminal fluoro-substituted rings. The dihedral angle between the two terminal fluoro-subsituted rings is 68.34 (8)°. An intra­molecular C—H⋯O hydrogen bond generates an S(6) ring motif. The crystal structure is stabilized by weak C—H⋯π inter­actions.
doi:10.1107/S1600536811053037
PMCID: PMC3254504  PMID: 22259448
25.  (1E,4E)-1-(3-Nitro­phen­yl)-5-phenyl­penta-1,4-dien-3-one 
In the title compound, C17H13NO3, the dihedral angle between the benzene rings is 31.21 (5)°. In the crystal, inversion dimers linked by pairs of C—H⋯O hydrogen bonds occur. A C—H⋯π inter­action is also indicated.
doi:10.1107/S1600536811052548
PMCID: PMC3254429  PMID: 22259575

Results 1-25 (58)