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1.  1,3,5-Tri-p-tolyl­pentane-1,5-diol 
In the title compound, C26H30O2, the central benzene ring forms dihedral angles of 14.85 (15) and 28.17 (14)° with the terminal benzene rings. The dihedral angle between the terminal benzene rings is 32.14 (13)°. The crystal packing exhibits two strong inter­molecular O—H⋯O hydrogen bonds, forming directed four-membered co-operative rings. A region of disordered electron density, most probably disordered ethyl acetate solvent mol­ecules, occupying voids of ca 519 Å3 for an electron count of 59, was treated using the SQUEEZE routine in PLATON [Spek (2009 ▶). Acta Cryst. D65, 148–155]. Their formula mass and unit-cell characteristics were not taken into account during refinement. The structure was refined as an inversion twin [absolute structure parameter = −0.3 (4)].
doi:10.1107/S160053681400018X
PMCID: PMC3998290  PMID: 24764851
2.  2-(Naphthalen-1-yl)-1-phenyl-1H-benzimid­azole benzene hemisolvate 
In the title compound, C23H16N2·0.5C6H6, the benzimidazole unit [maximum deviation = 0.0258 (6) Å] and the naphthalene ring system [maximum deviation = 0.0254 (6) Å] are both essentially planar and make a dihedral angle of 61.955 (17)°. The imidazole ring makes dihedral angle of 61.73 (4)° with the phenyl ring. An intra­molecular C—H⋯N hydrogen bond generates an S(6) ring motif. In the crystal, seven weak C—H⋯π inter­actions involving the fused ring system, the benzene solvent mol­ecule, the imidazole phenyl rings are observed, leading to a three-dimensional architecture.
doi:10.1107/S160053681303331X
PMCID: PMC3914093  PMID: 24526997
3.  1,5-Bis(4-chloro­phen­yl)-3-(4-methyl­phen­yl)pentane-1,5-dione 
In the title mol­ecule, C24H20Cl2O2, the central methyl­benzene ring forms dihedral angles of 42.47 (10) and 34.34 (10)° with the terminal 4-chloro­phenyl fragments. The dihedral angle between the chloro­benzene rings is 34.45 (11)°. A weak intra­molecular C—H⋯O inter­action generates an S(6) ring motif. The crystal packing exhibits weak C—H⋯O hydrogen bonds and C—H⋯π inter­actions.
doi:10.1107/S1600536813024355
PMCID: PMC3790380  PMID: 24098202
4.  10-Methyl-2-oxo-4-phenyl-2,11-di­hydro­pyrano[2,3-a]carbazole-3-carbo­nitrile 
In the title mol­ecule, C23H14N2O2, the atoms in the carbazole unit deviate from planarity [maximum deviation from mean plane = 0.1018 (8) Å]. The pyrrole ring makes dihedral angles of 4.44 (5), 3.84 (5), 2.18 (5) and 56.44 (5)° with the pyran, fused benzene rings and phenyl ring, respectively. In the crystal, pairs of N—H⋯O hydrogen bonds generate R 2 2(14) loops and a C—H⋯N inter­action is also found. Mol­ecules are further linked by a number of π–π interactions [centroid–centroid distances vary from 3.5702 (5) to 3.7068 (6) Å], forming a three-dimensional network.
doi:10.1107/S1600536813011823
PMCID: PMC3684919  PMID: 23795021
5.  7-Methyl-1-phenyl-1,10-di­hydro­pyrazolo­[3,4-a]carbazole 
In the title mol­ecule, C20H15N3, the atoms in the carbazole unit deviate from planarity [maximum deviation from mean plane = 0.1082 (15) Å]. The pyrrole ring makes dihedral angles of 3.17 (8)/4.10 (9), 7.20 (9) and 44.62 (9)° with the fused benzene, pyrazole and phenyl rings, respectively. In the crystal, mol­ecules are linked via N—H⋯N hydrogen bonds, forming an infinite chain along [010]. Mol­ecules are further linked by nine π–π [centroid–centroid distances vary from 3.6864 (11) to 3.9802 (11) Å] and one C—H⋯π inter­action, forming a three-dimensional network.
doi:10.1107/S1600536813010994
PMCID: PMC3648322  PMID: 23723942
6.  (E)-2-[(Furan-2-yl)methyl­idene]-7-methyl-2,3,4,9-tetra­hydro-1H-carbazol-1-one 
In the title mol­ecule, C18H15NO2, the atoms in the carbazole unit deviate from planarity [maximum deviation from mean plane = 0.1317 (12) Å]. The pyrrole ring makes dihedral angles of 1.01 (8) and 18.56 (10)° with the benzene and furan rings, respectively. The cyclo­hexene ring adopts a half-chair conformation. In the crystal, pairs of N—H⋯O hydrogen bonds form an R 2 2(10) ring. Mol­ecules are further linked by C—H⋯O and C—H⋯π inter­actions, forming a three-dimensional network.
doi:10.1107/S1600536812051203
PMCID: PMC3569219  PMID: 23424442
7.  2-(1-Phenyl-1H-benzimidazol-2-yl)phenol 
In the title mol­ecule, C19H14N2O, the benzimidazole unit is close to being planar [maximum deviation = 0.0253 (11) Å] and forms dihedral angles of 68.98 (6) and 20.38 (7)° with the adjacent phenyl and benzene rings; the dihedral angle between the latter two planes is 64.30 (7)°. An intra­molecular O—H⋯N hydrogen bond generates an S(6) ring motif. In the crystal, mol­ecules are linked by C—H⋯N and C—H⋯O hydrogen bonds, and consolidated into a three-dimensional architecture by π–π stacking inter­actions, with a centroid–centroid distance of 3.8428 (12) Å.
doi:10.1107/S1600536812049859
PMCID: PMC3588362  PMID: 23476443
8.  1,2-Diphenyl-1H-benzimidazole 
In the title mol­ecule, C19H14N2, the benzimidazole unit is close to being planar [maximum deviation = 0.0102 (6) Å] and forms dihedral angles of 55.80 (2) and 40.67 (3)° with the adjacent phenyl rings; the dihedral angle between the phenyl rings is 62.37 (3)°. In the crystal, one C—H⋯N hydrogen bond and three weak C—H⋯π inter­actions involving the fused benzene ring and the imidazole ring are observed, leading to a three-dimensional architecture.
doi:10.1107/S1600536812044960
PMCID: PMC3588830  PMID: 23468795
9.  2-Methyl-3-(4-methyl­phen­yl)-5,6-diphenyl-2,3-dihydro­pyrazine 
In the title mol­ecule, C24H22N2, four atoms (N—C—C—N) of the heterocyclic ring, with their attached H atoms, and all atoms of the methyl group, are disordered over two positions; the site-occupancy factor of the major component is 0.713 (6). The major disorder component of the heterocyclic ring adopts a half-chair conformation, with all substituents equatorial. The benzene ring adjacent to the methyl group forms dihedral angles of 79.68 (11) and 80.92 (11)° with the phenyl rings; the dihedral angle between adjacent phenyl rings is 59.10 (11)°. The crystal structure features three C—H⋯π inter­actions.
doi:10.1107/S1600536812041438
PMCID: PMC3515189  PMID: 23284416
10.  2-Ethyl-3,5,6-triphenyl­pyrazine 
In the title mol­ecule, C24H20N2, the pyrazine ring is significantly distorted from planarity, presumably due to steric crowding, and its conformation is well described as a flattened twist-boat. The benzene ring adjacent to the ethyl group forms dihedral angles of 53.79 (13) and 85.47 (12)° with the other benzene rings; the dihedral angle between adjacent benzene rings is 57.90 (12)°. The ethyl group is disordered over two positions; the site-occupancy factor of the major component is 0.546 (4). No hydrogen bonds are found in the crystal structure.
doi:10.1107/S1600536812039827
PMCID: PMC3470362  PMID: 23125775
11.  2-(4-Fluoro­phen­yl)-1-(4-methyl­phen­yl)-1H-phenanthro[9,10-d]imidazole 
The phenanthrene tricyclic ring system in the title mol­ecule, C28H19FN2, is slightly skewed with a dihedral angle of 7.50 (6)° between the outer benzene rings. The p-tolyl and fluoro­benzene rings are twisted from the attached imidazole ring by 70.40 (7) and 28.33 (7)°, respectively. In the crystal, C—H⋯F hydrogen bonds link the mol­ecules into zigzag chains in [001], and weak C—H⋯π inter­actions further consolidate the crystal packing.
doi:10.1107/S1600536812037592
PMCID: PMC3470234  PMID: 23125678
12.  2-(4-Fluoro­phen­yl)-1-phenyl-1H-benzimidazole 
In the title mol­ecule, C19H13FN2, the benzimidazole unit is close to planar [maximum deviation = 0.0342 (9) Å] and forms dihedral angles of 58.94 (3) and 51.43 (3)° with the phenyl and fluoro­benzene rings, respectively; the dihedral angle between the phenyl and fluoro­benzene rings is 60.17 (6)°. In the crystal, three C—H⋯F hydrogen bonds and two weak C—H⋯π inter­actions involving the fused benzene ring lead to a three-dimensional architecture.
doi:10.1107/S1600536812035155
PMCID: PMC3435725  PMID: 22969596
13.  1-[4-(4-Isopropyl­phen­yl)-6-methyl-2-sulfanyl­idene-1,2,3,4-tetra­hydro­pyrimidin-5-yl]ethanone 
In the title mol­ecule, C16H20N2OS, the heterocyclic ring adopts a slightly distorted flattened boat conformation, and the plane through the four coplanar atoms makes a dihedral angle of 86.98 (6)° with the benzene ring. The thione, acetyl and methyl groups lie on the opposite side of the heterocyclic mean plane to the isopropylphenyl group which has an axial orientation. A weak intra­molecular C—H⋯O hydrogen bond is observed. In the crystal, molecules are linked via N—H⋯O, N—H⋯S and C—H⋯S hydrogen bonds.
doi:10.1107/S1600536812034046
PMCID: PMC3435669  PMID: 22969540
14.  1-[4-(4-Fluoro­phen­yl)-6-methyl-2-sulfanyl­idene-1,2,3,4-tetra­hydro­pyrimidin-5-yl]ethanone 
In the title mol­ecule, C13H13FN2OS, the heterocyclic ring adopts a slightly distorted flattened boat conformation, and the plane through the four coplanar atoms makes a dihedral angle of 87.45 (14)° with the benzene ring. The thione, acetyl and methyl groups lie on the opposite side of the heterocyclic mean plane to the fluorophenyl group, which has an axial orientation. N—H⋯O, N—H⋯S, C—H⋯F and C—H⋯O inter­molecular hydrogen bonds and a weak C—H⋯π inter­action involving the benzene ring are found in the crystal structure.
doi:10.1107/S1600536812033727
PMCID: PMC3435653  PMID: 22969526
15.  2-Chloro-7,8,9,10-tetra­hydro­cyclo­hepta­[b]indol-6(5H)-one 
In the title mol­ecule, C13H12ClNO, the dihedral angle between the benzene and pyrrole rings is 1.38 (9)°. The cyclo­heptene ring adopts a distorted twist chair and sofa conformation. Inter­molecular N—H⋯O hydrogen bonds form an R 2 2(10) loop in the crystal packing. Further, weak C—H⋯O and C—H⋯π (involving the benzene ring) inter­actions are found in the crystal structure.
doi:10.1107/S1600536812022945
PMCID: PMC3379447  PMID: 22719645
16.  2-(2-Chloro­phen­yl)-3-methyl-5,6-diphenyl-2,3-dihydro­pyrazine 
In the title mol­ecule, C23H19ClN2, the heterocyclic ring adopts a screw-boat conformation, with all substituents equatorial. The benzene ring at position 2 makes dihedral angles of 77.88 (12) and 76.31 (12)° with the phenyl rings at positions 5 and 6, respectively. The dihedral angle between the phenyl rings at positions 5 and 6 is 70.05 (10)°. The Cl atom is disordered over two positions with occupancy factors of 0.946 (5) and 0.054 (5). In the crystal, C—H⋯π inter­actions are found.
doi:10.1107/S1600536811036336
PMCID: PMC3201404  PMID: 22065837
17.  2-(4-Fluoro­phen­yl)-1-phenyl-1H-imidazo[4,5-f][1,10]phenanthroline monohydrate 
In the title compound, C25H15FN4·H2O, the fused ring system is essentially planar [maximum deviation of 0.0822 (14) Å]. The imidazole ring makes dihedral angles of 76.83 (7) and 32.22 (7)° with the phenyl group attached to nitro­gen and the fluoro­benzene group to carbon, respectively. The dihedral angle between the two phenyl rings is 72.13 (7)°. Inter­molecular O—H⋯N, O—H⋯F, C—H⋯F, C—H⋯O and C—H⋯N hydrogen bonds are found in the crystal structure.
doi:10.1107/S1600536811026328
PMCID: PMC3212347  PMID: 22091004
18.  9-Ethyl-N-(3-nitro­benzyl­idene)-9H-carbazol-3-amine 
The title compound, C21H17N3O2, crystallizes with two mol­ecules in the asymmetric unit. The carbazole groups show relatively small deviations from planarity [maximum displacements from the mean carbazole plane are 0.077 (7) and 0.101 (7) Å]. The dihedral angles between the 3-nitro­benzyl­idene­amine and carbazole groups are 37.9 (1) and 37.0 (1)° in the two mol­ecules.
doi:10.1107/S1600536811023890
PMCID: PMC3151935  PMID: 21837172
19.  6-Methyl-2,3,4,9-tetra­hydro-1H-carbazole-1-thione 
In the title mol­ecule, C13H13NS, the dihedral angle between the benzene ring and the fused pyrrole ring is 0.71 (8)° and the cyclo­hexene ring is in an envelope form. The (CH2)3 atoms of the cyclo­hexene ring are disordered over two positions; the site-occupancy factor for the major component refined to 0.862 (4). In the crystal, inter­molecular N—H⋯S hydrogen bonds lead to the formation of centrosymmetric aggregates via an R 2 2(10) ring.
doi:10.1107/S1600536811019246
PMCID: PMC3151814  PMID: 21837047
20.  4,6-Bis(4-fluoro­phen­yl)-2-phenyl-1H-indazol-3(2H)-one 
In the title compound, C25H16F2N2O, the pyrazole ring is almost planar (r.m.s. deviation = 0.028 Å) and makes a dihedral angle of 5.86 (11)° with the indazole benzene ring. The dihedral angle between the pyrazole ring and the unsubstituted phenyl ring is 28.19 (11)°. The dihedral angles between the unsubstituted phenyl and the two fluoro­phenyl groups are 57.69 (10) and 18.01 (10)°. In the crystal, mol­ecules are linked by inter­molecular N—H⋯O and C—H⋯F inter­actions, forming infinite chains along the b axis with graph-set motif R 3 2(19). The crystal structure is further consolidated by π–π stacking [centroid–centroid distances = 3.5916 (13) and 3.6890 (13) Å] and C—H⋯π inter­actions.
doi:10.1107/S1600536811016369
PMCID: PMC3120412  PMID: 21754741
21.  5-Methyl-7,8,9,10-tetra­hydro­cyclo­hepta­[b]indol-6(5H)-one 
In the title mol­ecule, C14H15NO, the dihedral angle between the benzene and pyrrole rings is 1.99 (12)°. The cyclo­heptene ring adopts a slightly distorted boat conformation.
doi:10.1107/S1600536811016229
PMCID: PMC3120537  PMID: 21754722
22.  1-(3,5-Dimethyl­phenyl)-2-(4-fluoro­phenyl)-4,5-dimethyl-1H-imidazole 
In the title compound, C19H19FN2, the imidazole ring is essentially planar [maximum deviation of 0.0015 (9) Å] and makes dihedral angles of 77.61 (9) and 26.93 (10)° with the benzene rings attached to nitro­gen and carbon, respectively. The dihedral angle between the two benzene rings is 78.84 (8)°. A C—H⋯π inter­action is found in the crystal structure.
doi:10.1107/S1600536811012098
PMCID: PMC3089216  PMID: 21754391
23.  1,2-Diphenyl-1H-imidazo[4,5-f][1,10]phenanthroline 
In the title compound, C25H16N4, the fused ring system is essentially planar [maximum deviation = 0.1012 (15) Å]. The imidazole ring makes dihedral angles of 77.41 (8) and 56.26 (8)° with the phenyl rings attached to nitro­gen and carbon, respectively. The dihedral angle between the two phenyl rings is 65.50 (8)°. Weak C—H⋯π inter­actions are found in the crystal structure.
doi:10.1107/S1600536811010890
PMCID: PMC3099849  PMID: 21754246
24.  1-Benzyl-3,5-bis­[(E)-3-thienyl­methyl­idene]piperidin-4-one 
In the title mol­ecule, C22H19NOS2, the piperidine ring adopts an envelope conformation with the benzyl substituent in an equatorial position. Each of the olefinic double bonds has an E configuration. The dihedral angle between the two thio­phene rings is 1.55 (18)°. The thio­phene rings form angles of 72.21 (14) and 73.43 (14)° with the phenyl ring. Both thio­phene rings are disordered over two orientations [occupancy ratios of 0.799 (1):0.201 (1)] at 180° from one another. In the crystal, weak inter­molecular C—H⋯O hydrogen bonds and C—H⋯π inter­actions help to stabilize the packing.
doi:10.1107/S1600536811003758
PMCID: PMC3052058  PMID: 21522333
25.  (E)-6-Chloro-2-(furan-2-yl­methyl­idene)-2,3,4,9-tetra­hydro-1H-carbazol-1-one 
In the title compound, C17H12ClNO2, the carbazole unit is nearly planar [maximum deviation = 0.052 (1) Å]. The pyrrole ring makes dihedral angles of 1.92 (8) and 4.71 (11)° with the benzene and furan rings, respectively. Inter­molecular N—H⋯O hydrogen bonds form R 2 2(10) rings in the crystal structure.
doi:10.1107/S1600536810046714
PMCID: PMC3011405  PMID: 21589492

Results 1-25 (69)