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1.  N-(4-Bromo­phen­yl)-2-(4-chloro­phen­yl)acetamide 
The title compound, C14H11BrClNO, consists of chloro­benzene and bromo­benzene units which are linked at either end of the N-methyl­propionamide group. The chloro­benzene unit [maximum deviation = 0.005 (4) Å] makes a dihedral angle of 68.21 (19)° with the bromo­benzene unit [maximum deviation = 0.012 (3) Å]. In the crystal, N—H⋯O hydrogen bonds link the mol­ecules into chains along [010].
doi:10.1107/S1600536812002383
PMCID: PMC3275261  PMID: 22347117
2.  (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
3.  2-(4-Bromo­phen­yl)-2-oxoethyl 4-methyl­benzoate 
The title compound, C16H13BrO3, consists of a toluene ring and a bromo­benzene ring which are linked together by a 2-oxopropyl acetate group. The dihedral angle formed between the toluene and bromo­benzene rings is 80.70 (7)°. In the crystal, inter­molecular C—H⋯O hydrogen bonds link the mol­ecules into a three-dimensional network.
doi:10.1107/S1600536811045272
PMCID: PMC3238827  PMID: 22199680
4.  2-(4-Chloro­phen­yl)-2-oxoethyl 4-hy­droxy­benzoate 
The title compound, C15H11ClO4, consists of a chloro­benzene ring and a phenol ring which are linked together by a 1,4-dioxo-2-oxabutane-1,4-diyl group. The dihedral angle between the chloro­benzene and phenol rings is 65.70 (11)°. In the crystal, inter­molecular O—H⋯O hydrogen bonds link the mol­ecules into chains along [010].
doi:10.1107/S1600536811037500
PMCID: PMC3201459  PMID: 22065030
5.  (3E,5E)-3,5-Dibenzyl­idene-1-phenethyl­piperidin-4-one 
In the title compound, C27H25NO, the piperidine ring adopts an envelope conformation with the N atom at the flap position. The two benzylidene-benzene rings are oriented at a dihedral angle of 8.5 (1)°. In the crystal, the mol­ecules are linked into centrosymmetric dimers by pairs of inter­molecular C—H⋯O hydrogen bonds. The dimers are connected via C—H⋯π inter­actions involving the phenyl rings.
doi:10.1107/S1600536811035744
PMCID: PMC3201386  PMID: 22058753
6.  3-Methyl-5-phen­oxy-1-phenyl-1H-pyrazole-4-carbaldehyde 
In the title compound, C17H14N2O2, the pyrazole ring makes dihedral angles of 73.67 (4) and 45.99 (4)°, respectively, with the adjacent phenyl and phen­oxy rings. In the crystal, there are no classical hydrogen bonds, but a weak C—H⋯π inter­action is observed.
doi:10.1107/S1600536811036786
PMCID: PMC3201428  PMID: 22064771
7.  3-[(1-Isobutyl-1H-imidazo[4,5-c]quinolin-4-yl)amino]­benzoic acid 
In the title compound, C21H20N4O2, the statistically planar 1H-limidazole ring [maximum deviation = 0.003 (1) Å] makes dihedral angles of 1.33 (9) and 8.23 (7)°, respectively, with the essentially planar fused pyridine ring [maximum devation = 0.018 (1) Å] and the pendant benzene ring, which is attached to the pyridine ring by an —NH— group. An intra­molecular C—H⋯N inter­action, which generates an S(6) ring, helps to estalish the mol­ecular conformation. In the crystal, the mol­ecules are linked by N—H⋯O, C—H⋯O and O—H—N hydrogen bonds, which generate bifurcated R 1 2(6) and R 2 2(9) ring motifs, resulting in supra­molecular [001] chains. The crystal structure also features weak π–π stacking [centroid–centroid distance = 3.5943 (9) Å] and C—H⋯π inter­actions.
doi:10.1107/S1600536811028765
PMCID: PMC3213588  PMID: 22091165
8.  N-(5-Bromo­pyridin-2-yl)acetamide 
The asymmetric unit of the title compound, C7H7BrN2O, contains two mol­ecules, in one of which the methyl H atoms are disorderd over two orientations in a 0.57 (3):0.43 (3) ratio. The dihedral angles between the pyridine rings and the acetamide groups are 7.27 (11) and 8.46 (11)°. In the crystal, mol­ecules are linked by N—H⋯O and C—H⋯O hydrogen bonds generating bifurcated R 2 1(5) ring motifs, which in turn lead to [110] chains.
doi:10.1107/S1600536811027553
PMCID: PMC3213491  PMID: 22091070
9.  2-(4-Chloro­phen­yl)-2-oxoethyl benzoate 
In the title compound, C15H11ClO3, the dihedral angle between the aromatic rings is 84.29 (8)°. In the crystal, mol­ecules are linked by weak C—H⋯π inter­actions.
doi:10.1107/S160053681102383X
PMCID: PMC3151803  PMID: 21837175
10.  4-{[5-(4-Chloro­phen­yl)-1-(4-fluoro­phen­yl)-1H-pyrazol-3-yl]carbon­yl}-N-ethyl­piperazine-1-carboxamide 
The asymmetric unit of the title compound, C23H23ClFN5O2, contains two crystallographically independent mol­ecules. In one mol­ecule, the pyrazole ring makes dihedral angles of 43.93 (7) and 35.82 (7)°, respectively, with the fluoro- and chloro-substituted benzene rings, while the corresponding angles in the other mol­ecule are 52.26 (8) and 36.85 (7)°. The piperazine rings adopt chair conformations. In the crystal, adjacent mol­ecules are connected via inter­molecular N—H⋯O, C—H⋯F, C—H⋯N and C—H⋯O hydrogen bonds, forming a two-dimensional network parallel to the bc plane. The crystal structure is further stabilized by a weak π–π inter­action with a centroid–centroid distance of 3.6610 (8) Å and by C—H⋯π inter­actions.
doi:10.1107/S1600536811023178
PMCID: PMC3151813  PMID: 21837133
11.  1,3-Dimethyl-4-phenyl­sulfanyl-1H-pyrazol-5-ol 
In the title compound, C11H12N2OS, the pyrazole ring makes a dihedral angle of 85.40 (8)° with the phenyl ring. In the crystal, inter­molecular N—H⋯O and C—H⋯O hydrogen bonds link mol­ecules into a two-dimensional network parallel to the bc plane.
doi:10.1107/S1600536811004922
PMCID: PMC3052103  PMID: 21522387
12.  2,3-Dibromo-3-(5-nitro-2-fur­yl)-1-phenyl­propan-1-one 
In the title compound, C13H9Br2NO4, the phenyl and 2-nitro­furan rings are linked by a 2,3-dibromo­propanal group, six atoms of which, including a furyl C atom, are disordered over two positions with a site-occupancy ratio of 0.733 (11):0.267 (11). The dihedral angle between the furan [maximum deviation = 0.028 (4) Å] and phenyl rings in the major component is 16.9 (3)°. In the minor component, the corresponding values are 0.87 (4) Å and 23.3 (5)°. In the crystal, inter­molecular C—H⋯O hydrogen bonds link the mol­ecules into two-dimensional arrays parallel to the ab plane.
doi:10.1107/S1600536811003552
PMCID: PMC3052152  PMID: 21522313
13.  3-Isobutyl-4-phenyl­sulfan­yl-1H-pyrazol-5-ol 
The asymmetric unit of the title compound, C13H16N2OS, contains two independent mol­ecules (A and B). The pyrazole ring [maximum deviations = 0.0049 (17) Å in mol­ecule A and 0.0112 (19) Å in mol­ecule B] makes a dihedral angle of 70.23 (11) and 73.18 (12)° with the phenyl ring in mol­ecules A and B, respectively. The isobutyl group in mol­ecule B is disordered over two sets of sites with a ratio of refined occupancies of 0.858 (5):0.142 (5). In the crystal, mol­ecules A and B are linked via a pair of inter­molecular N—H⋯O hydrogen bonds, generating an R 2 2(8) ring motif. These ring motifs are further linked into two-dimensional arrays parallel to the bc plane by inter­molecular N—H⋯O and weak C—H⋯S hydrogen bonds. The crystal is further stablized by weak π–π inter­actions [centroid–centroid distances = 3.5698 (13) and 3.5287 (12) Å].
doi:10.1107/S1600536811002170
PMCID: PMC3051470  PMID: 21523124
14.  5-Ethyl-2-(4-fluoro­phen­yl)-4-phen­oxy-1H-pyrazol-3(2H)-one 
In the title compound, C17H15FN2O2, the essentially planar pyrazole ring [maximum deviation = 0.026 (1) Å] makes dihedral angles of 72.06 (7) and 33.05 (7)°, with the phenyl and fluoro­benzene rings, respectively. The dihedral angle between the two six-membered rings is 87.88 (7)°. In the crystal, inter­molecular N—H⋯O and C—H⋯F hydrogen bonds link the mol­ecules into layers lying parallel to the bc plane.
doi:10.1107/S1600536811000754
PMCID: PMC3051690  PMID: 21523133
15.  2,3-Dibromo-1-(4-methyl­phen­yl)-3-(5-nitro­furan-2-yl)propan-1-one 
In the title compound, C14H11Br2NO4, the whole mol­ecule is disordered over two positions with a refined occupancy ratio of 0.539 (9):0.461 (9). The 2-nitro­furan and toluene groups are approximately planar, with maximum deviations of 0.176 (11) and 0.121 (14) Å, respectively, in the major component and 0.208 (11) and 0.30 (17) Å in the minor component. The dihedral angles between the 2-nitro­furan and toluene groups are 8.7 (5) and 8.0 (9)° for the major and minor components, respectively. In the crystal, weak inter­molecular C—H⋯O inter­actions connect mol­ecules into a three-dimensional network, generating R 2 1(6) ring motifs.
doi:10.1107/S1600536810050488
PMCID: PMC3050337  PMID: 21522790
16.  3-(2,5-Dimethyl­furan-3-yl)-1H-pyrazol-5-ol–ethyl 3-(propan-2-yl­idene)carbazate (1/1). Corrigendum 
Corrigendum to Acta Cryst. (2010), E66, o3020–o3021.
The address of three of the authors in the paper by Shahani et al. [Acta Cryst. (2010), E66, o3020–o3021] is corrected.
doi:10.1107/S1600536810047859
PMCID: PMC3011539  PMID: 21589200
17.  1-{[5-(4-Chloro­phen­yl)-1-(4-fluoro­phen­yl)-1H-pyrazol-3-yl]carbon­yl]}piperidin-4-one 
In the title compound, C21H17ClFN3O2, the 1H-pyrazole ring makes dihedral angles of 36.73 (7), 18.73 (7) and 60.88 (8)°, respectively, with the mean planes of the chloro­phenyl, 4-oxo­piperidine and fluoro­phenyl rings. The mol­ecular structure is stabilized by an intra­molecular C—H⋯N hydrogen bond, which forms an S(6) ring motif. In the crystal, inter­molecular C—H⋯O hydrogen bonds link mol­ecules into chains along [101]. In addition, inter­molecular C—H⋯F hydrogen bonds with an R 2 1(7) ring motif connect neighbouring chains into layers parallel to the ac plane.
doi:10.1107/S1600536810047215
PMCID: PMC3011612  PMID: 21589523
18.  3-(2,5-Dimethyl­furan-3-yl)-1H-pyrazol-5-ol–ethyl 3-(propan-2-yl­idene)carbazate (1/1) 
In the title 1:1 adduct, C6H12N2O2·C9H10N2O2, the maximum deviations from the 1H-pyrazole-5-ol and furan rings are 0.014 (1) and 0.003 (1) Å, respectively. The dihedral angle formed between the 1H-pyrazol-5-ol and 2,5-dimethyl­furan rings is 21.07 (5)°. In the crystal, pairs of inter­molecular O—H⋯N hydrogen bonds form inversion dimers of the 3-(2,5-dimethyl­furan-3-yl)-1H-pyrazol-5-ol species, generating R 2 2(8) ring motifs. Mol­ecules are further linked by inter­molecular N—H⋯O, N—H⋯N and C—H⋯O hydrogen bonds to form ribbons along the [010] direction containing bifurcated R 1 2(5) and R 2 1(7) ring motifs. Further stablization of the packing is provided by weak π–π [centroid–centroid distance = 3.5686 (15) Å] and C—H⋯π inter­actions.
doi:10.1107/S1600536810043886
PMCID: PMC3009126  PMID: 21589178
19.  2-Amino-5-methyl­pyridinium 1H-pyrazole-3,5-dicarboxyl­ate trihydrate 
In the title compound, 2C6H9N2 +·C5H2N2O4 2−·3H2O, the 1H-pyrazole-3,5-dicarboxyl­ate anion is close to planar [maximum deviation = 0.208 (1) Å]. The two distinct 2-amino-5-methyl­pyridinium cations are also almost planar, with maximum deviations of 0.018 (2) and 0.014 (2) Å. In the crystal, pairs of inter­molecular N—H⋯O and O—H⋯O hydrogen bonds connect neighbouring mol­ecules into dimers, generating R 2 2(8) and R 2 4(8) ring motifs, respectively. Further inter­molecular N—H⋯O, O—H⋯O and C—H⋯O hydrogen bonds link the mol­ecules into a three-dimensional network.
doi:10.1107/S1600536810041644
PMCID: PMC3008987  PMID: 21589058
20.  4-[2,3-Dibromo-3-(4-bromo­phen­yl)propano­yl]-2-phenyl-1,2,3-oxadiazol-2-ium-5-olate 
In the title compound, C17H11Br3N2O3, the whole mol­ecule is disordered over two positions with a refined occupancy ratio of 0.770 (5):0.230 (5). In the major component, the 1,2,3-oxadiazo­lidine ring is essentially planar [maximum deviation = 0.017 (6) Å] and makes dihedral angles of 22.5 (3) and 70.2 (3)° with the 4-bromo­phenyl and phenyl rings, respectively. In the minor component, the corresponding values are 18.9 (11) and 84.9 (12)°. In the crystal, inter­molecular C—H⋯Br hydrogen bonds link the mol­ecules into ribbons along [010]. There is a short O⋯N contact [2.83 (3) Å] in the minor component. In the major component, the mol­ecular structure is stabilized by an intra­molecular C—H⋯O hydrogen bond, which forms an S(6) ring motif.
doi:10.1107/S1600536810040493
PMCID: PMC3009087  PMID: 21589008
21.  1-(4-Fluoro­phen­yl)-3-methyl-4-phenyl­sulfanyl-1H-pyrazol-5(4H)-one 
The title compound, C16H13FN2OS, has undergone enol-to-keto tautomerism during the crystallization process. The 1H-pyrazole-5-one ring [maximum deviation = 0.0198 (11) Å] is inclined at angles of 33.10 (5) and 79.57 (5)° with respect to the fluoro­phenyl [maximum deviation = 0.0090 (12) Å] and phenyl­thiol [maximum deviation = 0.0229 (3) Å] rings attached to it. In the crystal, neighbouring mol­ecules are linked into inversion dimers, generating R 2 2(8) ring motifs. These dimers are further linked into two-dimensional arrays parallel to the bc plane via inter­molecular N—H⋯O, C—H⋯F and C—H⋯O hydrogen bonds. The crystal is further stabilized by weak π–π [centroid–centroid distance = 3.6921 (7) Å] and C—H⋯π inter­actions.
doi:10.1107/S1600536810040596
PMCID: PMC3009262  PMID: 21589006
22.  5-Cyclo­hexyl-4-methyl-1H-pyrazol-3(2H)-one monohydrate 
In the title compound, C10H16N2O·H2O, the cyclo­hexane ring is in a chair conformation and its least-squares plane makes a dihedral angle of 53.68 (5)° with the approximately planar pyrazole ring [maximum deviation = 0.034 (1) Å]. Pairs of inter­molecular N—H⋯O hydrogen bonds form inversion dimers between neighbouring pyrazolone mol­ecules, generating R 2 2(8) ring motifs. The pyrazolone and water mol­ecules are further linked by inter­molecular N—H⋯O, C—H⋯O and O—H⋯O hydrogen bonds into two-dimensional sheets parallel to the bc plane.
doi:10.1107/S1600536810039164
PMCID: PMC3009194  PMID: 21588963
23.  4-{2-[5-(4-Chloro­phen­yl)-1-(4-fluoro­phen­yl)-1H-pyrazol-3-yl]thia­zol-4-yl}benzonitrile 
The asymmetric unit of the title compound, C25H14ClFN4S, contains two independent mol­ecules (A and B). Each mol­ecule consists of five rings, namely chloro­phenyl, fluoro­phenyl, 1H-pyrazole, thia­zole and benzonitrile. In mol­ecule A, the 1H-pyrazole ring makes dihedral angles of 52.54 (8), 35.96 (8) and 15.43 (8)° with respect to the attached chloro­phenyl, fluoro­phenyl and thia­zole rings. The corresponding values in mol­ecule B are 51.65 (8), 37.26 (8) and 8.32 (8)°. In the crystal, mol­ecules are linked into dimers by C—H⋯N hydrogen bonds, generating R 2 2(10) ring motifs. These dimers are further linked into two-dimensional arrays parallel to the ab plane via inter­molecular weak C—H⋯N and C—H⋯F hydrogen bonds. The crystal structure is further stabilized by weak π-π inter­actions [with centroid–centroid distances of 3.4303 (9) and 3.6826 (9) Å] and weak C—H⋯π inter­actions.
doi:10.1107/S1600536810031405
PMCID: PMC3007991  PMID: 21588640
24.  3-Ethyl-4-phen­oxy-1-(2,2,2-trifluoro­eth­yl)-1H-pyrazol-5-ol 
The title compound, C13H13F3N2O2, crystallizes with two independent mol­ecules in the asymmetric unit, with different conformations of their ethyl side chains. The dihedral angles formed between the 1H-pyrazole and benzene rings in the two mol­ecules are 79.44 (6) and 77.81 (6)°. In the crystal, mol­ecules are linked by O⋯H—N hydrogen bonds into chains propagating along [001] and the packing is further stabilized by π–π inter­actions [centroid–centroid separations = 3.5409 (10) and 3.6335 (10) Å].
doi:10.1107/S1600536810025948
PMCID: PMC3007551  PMID: 21588264
25.  4-Methyl-5-phenyl-1H-pyrazol-3-ol 
The title compound, C10H10N2O, crystallizes with two independent mol­ecules in the asymmetric unit, having closely comparable geometries. The dihedral angles between the 1H-pyrazole and benzene rings in the two mol­ecules are 39.57 (14) and 41.95 (13)°. The two mol­ecules are each connected to neighbouring mol­ecules by pairs of inter­molecular O—H⋯N hydrogen bonds, forming dimers with R 2 2(8) ring motifs. These dimers are further linked into R 4 4(10) ring motifs by inter­molecular N—H⋯O hydrogen bonds, forming chains along [101]. The crystal structure is further stabilized by a C—H⋯π inter­action.
doi:10.1107/S1600536810022828
PMCID: PMC3006807  PMID: 21587918

Results 1-25 (33)