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1.  (E)-1-(2,4-Dinitro­phen­yl)-2-[1-(3-fluoro­phen­yl)ethyl­idene]hydrazine 
The mol­ecule of the title hydrazone derivative, C14H11FN4O4, is nearly planar, with a dihedral angle between the benzene rings of 3.71 (7)°. The central ethyl­idenehydrazine N—N=C—C plane makes dihedral angles of 5.32 (10) and 9.02 (10)° with the 2,4-dinitro- and 3-fluoro-substituted benzene rings, respectively. An intra­molecular N—H⋯O bond generates an S(6) ring motif. In the crystal, mol­ecules are linked by weak C—H⋯O inter­actions into a sheet parallel to (10-1). The mol­ecules are further stacked along the a axis by π–π inter­actions with centroid–centroid distances of 3.6314 (9) and 3.7567 (10) Å. A C⋯F short contact [2.842 (3) Å] is observed. The 3-fluoro­phenyl group is disordered over two orientations with a site-occupancy ratio of 0.636 (3):0.364 (3).
doi:10.1107/S160053681201937X
PMCID: PMC3379246  PMID: 22719444
2.  5-Diethyl­amino-2-{[2-(2,4-dinitro­phen­yl)hydrazin-1-yl­idene]meth­yl}phenol 
In the title compound, C17H19N5O5, obtained from the condensation reaction of 4-diethyl­amino-2-hy­droxy­benzalde­hyde and 2,4-dinitro­phenyl­hydrazine, the two benzene rings are twisted by a dihedral angle of 1.75 (12)°. The nitro groups are slightly twisted with the respect to the benzene ring to which they are attached, making dihedral angles of 8.20 (15) and 5.78 (15)°. An intra­molecular O—H⋯N hydrogen bond occurs. In the crystal, mol­ecules are linked by pairs of inter­molecular N—H⋯O hydrogen bonds, forming dimers through R 2 2(12) rings. These dimers are further linked by C—H⋯O and C—H⋯π and weak slipped π–π inter­actions [centroid–centroid distance = 3.743 (2)Å]. One of the ethyl groups is disordered over two positions, with occupancy factors in the ratio 0.72:0.28.
doi:10.1107/S1600536810044983
PMCID: PMC3011673  PMID: 21589414
3.  1-(2,4-Dinitro­phen­yl)-2-(1,2,3,4-tetra­hydro­naphthalen-1-yl­idene)hydrazine 
In the title compound, C14H14N4O4, the dihedral angle between the benzene rings is 10.42 (8)°. The nitro groups make dihedral angles of 5.3 (2) and 6.47 (15)° with their parent ring and are oriented at 11.2 (3)° with respect to each other. An intra­molecular N—H⋯O hydrogen bond completes an S(6) ring motif. In the crystal, mol­ecules are linked by C—H⋯O inter­actions, thus forming (010) chains in which R 2 2(13) ring motifs are present. There also exist aromatic π–π stacking inter­actions [centroid–centroid separation = 3.7046 (9) Å].
doi:10.1107/S1600536810028680
PMCID: PMC3007257  PMID: 21588393
4.  (E)-1-[1-(2-Chloro­phen­yl)ethyl­idene]-2-(2,4-dinitro­phen­yl)hydrazine 
The title mol­ecule, C14H11ClN4O4, is in an E configuration and is twisted with the dihedral angle between the two benzene rings being 38.48 (8)°. The ethyl­idenehydrazine plane makes dihedral angles of 6.03 (10) and 44.04 (11)°, respectively, with the dinitro- and chloro-substituted benzene rings. The two nitro groups are essentially coplanar with the bound benzene ring, making dihedral angles of 0.9 (2) and 1.65 (18)°. An intra­molecular N—H⋯O hydrogen bond generates an S(6) ring motif. In the crystal, mol­ecules are linked by a weak C—H⋯O inter­action into a chain along the c axis. The chains are further stacked along the b axis by a π–π inter­action with a centroid–centroid distance of 3.6088 (10) Å.
doi:10.1107/S160053681105001X
PMCID: PMC3239123  PMID: 22199971
5.  (E)-1-[1-(3-Chloro­phen­yl)ethyl­idene]-2-(2,4-dinitro­phen­yl)hydrazine 
There are two crystallographically independent mol­ecules in the asymmetric unit of the title compound, C14H11ClN4O4, with the same E conformation about the C=N double bond. The mol­ecules are approximately planar, with a dihedral angle between the benzene rings of 10.24 (12)° in one mol­ecule and 4.73 (12)° in the other. In both mol­ecules, the ortho-nitro groups of the 2,4-dinitro­phenyl units are coplanar to their bound benzene rings, whereas the para-nitro groups are slightly twisted. In each mol­ecule, intra­molecular N—H⋯O hydrogen bonds generate S(6) ring motifs. In the crystal, mol­ecules are linked by weak C—H⋯O inter­actions into sheets parallel to the (-102) plane. These sheets are stacked by π–π inter­actions, with centroid–centroid distances of 3.7008 (14) and 3.7459 (14) Å. A Cl⋯O short contact [3.111 (2) Å] is observed.
doi:10.1107/S160053681200548X
PMCID: PMC3295481  PMID: 22412592
6.  (E)-1-(2,4-Dinitro­phen­yl)-2-[1-(2-nitro­phen­yl)ethyl­idene]hydrazine 
The title compound, C14H11N5O6, was obtained from the condensation reaction of 2,4-dinitro­phenyl­hydrazine and 2-nitro­acetophenone. The mol­ecule displays an E conformation about the C=N double bond and an intra­molecular N—H⋯O hydrogen bond generates an S(6) ring motif. The dihedral angle between the benzene rings is 7.84 (6)°. In the crystal, mol­ecules are linked by C—H⋯O hydrogen bonds and π–π stacking inter­actions [centroid–centroid distance = 3.6447 (8) Å] into a three-dimensional network.
doi:10.1107/S1600536811042620
PMCID: PMC3247472  PMID: 22220090
7.  5-(4-Bromo­phen­yl)-3-(4-fluoro­phen­yl)-1-phenyl-4,5-dihydro-1H-pyrazole 
In the title compound, C21H16BrFN2, the fluoro-substituted benzene ring is disordered over two orientations about the C—F bond and the C—C bond between the benzene and pyrazole groups with a site-occupancy ratio of 0.516 (8):0.484 (8). The central pyrazole ring [maximum deviation = 0.035 (3) Å] makes dihedral angles of 22.4 (2), 11.0 (2), 77.19 (16) and 7.44 (17)° with the two disorder components of the benzene ring, the bromo-substituted benzene ring and the phenyl ring, respectively. In the crystal, mol­ecules are linked into a layer parallel to the bc plane through C—H⋯π inter­actions.
doi:10.1107/S160053681203454X
PMCID: PMC3435702  PMID: 22969573
8.  Crystal structure of ethyl 5-(3-fluoro­phen­yl)-2-[(4-fluoro­phen­yl)methyl­idene]-7-methyl-3-oxo-2H,3H,5H-[1,3]thia­zolo[3,2-a]pyrimidine-6-carboxyl­ate 
In the title mol­ecule, C23H18F2N2O3S, the pyrimidine ring is in a half-chair conformation and the 3-fluoro­phenyl group is in the axial position. The thia­zole ring (r.m.s. deviation = 0.0252 Å) forms dihedral angles of 84.8 (7) and 9.6 (7)° with the 3-fluoro-substituted and 4-fluoro-substituted benzene rings, respectively. In the crystal, weak C—H⋯F and C—H⋯O hydrogen bonds connect mol­ecules, forming zigzag chains along the b axis. In addition π–π stacking inter­actions with a centroid–centroid distance of 3.7633 (9) Å connect these chains into ladders via inversion-related 4-fluoro­phenyl groups.
doi:10.1107/S1600536814023010
PMCID: PMC4257247  PMID: 25484821
crystal structure; pyrimidine; thia­zole; hydrogen bonds; π–π stacking inter­actions
9.  (E)-1-(2,4-Dinitro­phen­yl)-2-[1-(4-fluoro­phen­yl)ethyl­idene]hydrazine 
The title compound, C14H11FN4O4, crystallizes with two essentially planar mol­ecules in the asymmetric unit; the dihedral angles between the benzene rings are 1.57 (15) and 6.17 (15)°. In each mol­ecule, an intra­molecular N—H⋯O hydrogen bond generates an S(6) ring. In the crystal, mol­ecules are linked by weak C—H⋯O and C—H⋯F inter­actions into sheets lying parallel to (120). O⋯C [2.980 (4) Å] and O⋯N [2.892 (3) Å] short contacts also occur.
doi:10.1107/S1600536812000815
PMCID: PMC3275075  PMID: 22347020
10.  N-[1-(Biphenyl-4-yl)ethyl­idene]-N′-(2,4-dinitro­phen­yl)hydrazine 
The title compound, C20H16N4O4, contains two crystallographically independent mol­ecules (A and B) in the asymmetric unit. Intra­molecular N—H⋯O hydrogen bonds generate S(6) ring motifs in both molecules. The dihedral angles between the nitro-substituted benzene rings and the two benzene rings in mol­ecules A and B are 14.32 (9), 17.89 (9)° and 13.04 (9) and 25.71 (9)°. The ortho and para nitro groups form dihedral angles of 6.2 (2) and 8.5 (2)° in mol­ecule A, and 5.3 (3) and 13.8 (2)° in mol­ecule B, with the benzene rings to which they are attached. The crystal structure is stabilized by inter­molecular C—H⋯O inter­actions.
doi:10.1107/S1600536809009593
PMCID: PMC2977666  PMID: 21584009
11.  (E)-1-(2,4-Dinitro­phen­yl)-2-[1-(2-meth­oxy­phen­yl)ethyl­idene]hydrazine 
The mol­ecule of the title compound, C15H14N4O5, is in an E conformation with respect to the C=N double bond and the dihedral angle between the two benzene rings is 37.83 (7)°. The ethyl­idenehydrazine plane makes dihedral angles of 4.93 (9) and 42.38 (9)° with the two benzene rings. An intra­molecular N—H⋯O hydrogen bond generates an S(6) ring motif. In the crystal, mol­ecules are linked by weak C—H⋯O inter­actions into chains along the c axis which are stacked along the b axis by aromatic π–π inter­actions with a centroid–centroid distance of 3.5927 (10) Å.
doi:10.1107/S1600536811045417
PMCID: PMC3238869  PMID: 22199722
12.  (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
13.  (E)-1-(2,4-Dinitro­phen­yl)-2-[1-(3-meth­oxy­phen­yl)ethyl­idene]hydrazine 
There are two crystallographically independent mol­ecules in the asymmetric unit of the title compound, C15H14N4O5, with different conformations for the meth­oxy groups. The mol­ecules are both slightly twisted, the dihedral angles between two benzene rings being 8.37 (18)° in one and 7.31 (18)° in the other. In both mol­ecules, the two nitro groups are essentially coplanar with their bound benzene ring, with the r.m.s. deviation of the dinitro­benzene plane being 0.0310 (3) Å in one mol­ecule and 0.0650 (3) Å in the other. In each mol­ecule, an intra­molecular N—H⋯O hydrogen bond generates an S(6) ring motif. In the crystal, mol­ecules are linked by weak C—H⋯O inter­actions and stacked along the a axis through π–π inter­actions, with centroid–centroid distances of 3.651 (2) and 3.721 (2) Å. The crystal studied was a non-merohedral twin with a refined minor component of 20.1 (3)%.
doi:10.1107/S1600536812026979
PMCID: PMC3393954  PMID: 22798819
14.  4-{[2-(2,4-Dinitro­phen­yl)hydrazinyl­idene]meth­yl}phenol ethanol hemisolvate 
In the title compound, C13H10N4O5·0.5C2H5OH, the two benzene rings form a dihedral angle of 4.29 (9)°. The ethanol solvent mol­ecule was treated as disordered between two orientations related by symmetry (center of inversion), with occupancies fixed at 0.5. The crystal packing, stabilized by inter­molecular O—H⋯O and N—H⋯O hydrogen bonds and π–π inter­actions [indicated by the short distance of 3.7299 (7) Å between the centroids of benzene rings from neighbouring mol­ecules], exhibits short inter­molecular O⋯O contacts of 2.8226 (3) Å.
doi:10.1107/S1600536810045782
PMCID: PMC3011783  PMID: 21589441
15.  (E)-1-(2,4-Dinitro­phen­yl)-2-[1-(3-nitro­phen­yl)ethyl­idene]hydrazine 
In the asymmetric unit of the title compound, C14H11N5O6, there are three crystallographically independent mol­ecules with similar conformations but some differences in bond angles. The mol­ecules are slightly twisted with the dihedral angles between the benzene rings being 10.02 (14), 8.41 (15) and 1.40 (14)°. In each mol­ecule, an intra­molecular N—H⋯O hydrogen bond generates an S(6) ring motif. In the crystal, mol­ecules are linked by weak C—H⋯O inter­actions into a three-dimensional network. π–π inter­actions with centroid–centroid distances of 3.5635 (17)–3.8273 (18) Å are observed.
doi:10.1107/S1600536812034812
PMCID: PMC3435706  PMID: 22969577
16.  N,N-Diethyl­anilinium 5-(5-chloro-2,4-dinitro­phen­yl)-2,6-dioxo-1,2,3,6-tetra­hydro­pyrimidin-4-olate 
In the anion of the title salt, C10H16N+·C10H4ClN4O7 − [trivial name = N,N-diethyl­anilinium 5-(3-chloro-4,6,-dinitro­phen­yl)barbiturate], the dihedral angle between the benzene and pyrimidine rings is 45.49 (6)°. The mean plane of the nitro group, which is ortho-substituted with respect to the pyrimidine ring, is twisted by 41.57 (13)° from the benzene ring, while the mean plane of the nitro group, which is para-substituted, is twisted by 14.41 (12)° from this ring. In the crystal, N—H⋯O hydrogen bonds link cations and anions into chains along [1-10]. Within the chains, inversion-related anionic barbiturate anions form R 2 2(8) ring motifs.
doi:10.1107/S1600536813004352
PMCID: PMC3588430  PMID: 23476581
17.  N-(2,4-Dinitro­phen­yl)-N′-(1-p-tolyl­ethyl­idene)hydrazine 
In the title mol­ecule, C15H14N4O4, the dihedral angle between the two benzene rings is 2.21 (7)°. An intra­molecular N—H⋯O hydrogen bond generates an S(6) ring motif. The mean planes of the ortho- and para-nitro groups make dihedral angles of 2.17 (17) and 2.05 (16)°, respectively, with the benzene ring to which they are attached. In the crystal structure, weak inter­molecular C—H⋯O hydrogen bonds generate R 2 2(7), R 2 2(13) and R 2 1(10) ring motifs, linking symmetry-related mol­ecules into extended chains along the b axis. In addition, there are inter­molecular C⋯C [3.332 (2)–3.343 (2) Å] contacts which are shorter than the sum of the van der Waals radii. The crystal structure is further stabilized by inter­molecular C—H⋯π and π–π stacking inter­actions [centroid–centroid distance = 3.8090 (9) Å].
doi:10.1107/S1600536809009957
PMCID: PMC2969085  PMID: 21582553
18.  N-(4-Bromo­phen­yl)-3,5-dinitro­benzamide 
The title mol­ecule, C13H8BrN3O5, is slightly twisted, with the dihedral angle between the two benzene rings being 5.9 (1)°. In the crystal, N—H⋯O hydrogen bonds link the mol­ecules into one-dimensional chains running along [101]. Further stabilization of the crystal structure is provided by π–π inter­actions [shortest centroid–centroid distance = 3.6467 (17) Å].
doi:10.1107/S1600536811051464
PMCID: PMC3254366  PMID: 22259531
19.  (E)-1-(2,4-Dinitro­phen­yl)-2-(2-fluoro­benzyl­idene)hydrazine 
In the title compound, C13H9FN4O4, the dihedral angle between the mean planes of the two benzene rings of the nearly planar mol­ecule is 6.6 (9)°. The dihedral angles between the mean planes of the benzene ring and its two attached nitro groups are 6.7 (7) and 7.2 (9)°. Crystal packing is stabilized by N—H⋯O hydrogen bonds, weak C—H⋯O and C—H⋯F inter­molecular inter­actions and centroid–centroid π-ring stacking inter­actions.
doi:10.1107/S1600536811014383
PMCID: PMC3089184  PMID: 21754502
20.  (4Z)-4-[(2E)-1-Hy­droxy-3-(3-nitro­phen­yl)prop-2-en-1-yl­idene]-3-methyl-1-(4-methyl­phen­yl)-1H-pyrazol-5(4H)-one 
In the title compound, C20H17N3O4, the dihedral angles between the heterocyclic ring and the toluene and nitro­benzene rings are 4.21 (15) and 11.43 (14)°, respectively. The whole mol­ecule is close to planar (r.m.s. deviation for the 27 non-H atoms = 0.171 Å). Two S(6) rings are formed due to intra­molecular C—H⋯O and O—H⋯O hydrogen bonds. In the crystal, inversion dimers linked by pairs of C—H⋯O bonds generate R 2 2(10) loops and further C—H⋯O bonds link the dimers along the b-axis direction. There exist π–π inter­actions between the heterocyclic rings at a centroid–centroid distance of 3.7126 (10) Å and between the centroids of the benzene rings at a distance of 3.8710 (16) Å.
doi:10.1107/S1600536812025238
PMCID: PMC3393312  PMID: 22807869
21.  1-(4-Bromo­phen­yl)-3-(4-ethoxy­phen­yl)­prop-2-en-1-one 
The title compound, C17H15BrO2, consists of two substituted benzene rings connected by a prop-2-en-1-one group. The mol­ecule is nearly planar and adopts an E configuration. The dihedral angle between the two benzene rings is 8.51 (19)°. The enone plane makes dihedral angles of 11.06 (19) and 7.69 (19)°, respectively, with the bromo­phenyl and ethoxy­phenyl rings. The mol­ecules are linked by C—H⋯O hydrogen bonds to form a zigzag ribbon-like structure along the b direction. The crystal structure is stabilized by weak intra- and inter­molecular C—H⋯O inter­actions.
doi:10.1107/S1600536808021776
PMCID: PMC2962165  PMID: 21203245
22.  (E)-1-(2-Bromo­phen­yl)-3-(2,5-dimeth­oxy­phen­yl)prop-2-en-1-one 
The title compound, C17H15BrO3, is a chalcone with the 2-bromo­phenyl and 2,5-dimeth­oxy­phenyl rings bonded at opposite ends of a propene group. The dihedral angle between the mean planes of the ortho-bromo and ortho,meta-dimeth­oxy-substituted benzene rings is 77.3 (1)°. The dihedral angles between the mean plane of the prop-2-ene-1-one group and the mean planes of the 2-bromo­phenyl and 2,5-dimeth­oxy­phenyl rings are 58.6 (1) and 30.7 (4)°, respectively. Weak C—H⋯O, C—H⋯Br and π–π stacking inter­molecular inter­actions [centroid–centroid distance = 3.650 (2) Å] are present in the structure.
doi:10.1107/S1600536810025638
PMCID: PMC3007330  PMID: 21588276
23.  4-(3-Fluoro­phen­yl)-1-(2-oxoindolin-3-yl­idene)thio­semicarbazide 
In the title compound, C15H11FN4OS, there are three independent mol­ecules, each with a disordered 3-fluoro­phenyl group [occupancy ratios = 0.547 (17):0.453 (17), 0.645 (5):0.355 (5) and 0.626 (15):0.374 (15)] and displaying dihedral angles of 4.2 (3), 25.2 (6) and 32.4 (5)° between the 2-oxoindoline and fluoro-substituted phenyl rings. Strong intra­molecular N—H⋯N and N—H⋯O and weak intra­molecular C—H⋯S hydrogen bonds complete S(5) and S(6) ring motifs, while strong inter­molecular N—H⋯O hydrogen bonds inter­connect the three independent mol­ecules through R 3 3(12) ring motifs. The three-mol­ecule units are in turn linked into polymeric sheets via C—H⋯F and C—H⋯S hydrogen bonds and π–π inter­actions [centroid–centroid distances in the range 3.520 (2)–3.820 (9) Å].
doi:10.1107/S1600536810034951
PMCID: PMC2983261  PMID: 21587492
24.  Crystal structure of ethyl 2-(2-fluoro­benzyl­idene)-5-(4-fluoro­phen­yl)-7-methyl-3-oxo-2,3-di­hydro-5H-1,3-thia­zolo[3,2-a]pyrimidine-6-carb­oxy­late 
In the title mol­ecule, C23H18F2N2O3S, the 4-fluoro-substituted and 2-fluoro-substituted benzene rings form dihedral angles of 88.16 (8) and 23.1 (1)°, respectively, with the thia­zole ring. The pyrimidine ring adopts a flattened sofa conformation with the sp 3-hydridized C atom forming the flap. In the crystal, pairs of weak C—H⋯O hydrogen bonds link mol­ecules related by twofold rotation axes, forming R 2 2(10) rings, which are in turn linked by weak C—H⋯N inter­actions to form chains of rings along [010]. In addition, weak C—H⋯π(arene) inter­actions link the chains into layers parallel to (001) and π–π inter­actions with a centroid–centroid distance of 3.836 (10) Å connect these layers into a three-dimensional network.
doi:10.1107/S1600536814025008
PMCID: PMC4257371  PMID: 25553039
crystal structure; fused pyrimidine derivative; fluoro-substituted compound; hydrogen bonding; C—H⋯π inter­actions; π–π inter­actions
25.  11-[(E)-4-Bromo­benzyl­idene]-8-(4-bromo­phen­yl)-14-hy­droxy-3,13-diaza­hepta­cyclo­[13.7.1.19,13.02,9.02,14.03,7.019,23]tetra­cosa-1(22),15,17,19(23),20-pentaen-10-one 
In the title compound, C35H28Br2N2O2, the piperidone ring adopts a chair conformation and the five-membered ring of the pyrrolidine ring adopts an envelope conformation. The naphthalene ring system makes dihedral angles of 37.12 (8) and 50.62 (9)° with the terminal bromo-substituted benzene rings. The dihedral angle between the two bromo-substituted benzene rings is 72.54 (10)°. In the crystal, adjacent mol­ecules are connected by a pair of inter­molecular C—H⋯O hydrogen bonds, forming an inversion dimer. An intra­molecular O—H⋯N hydrogen bond is also present.
doi:10.1107/S1600536810042091
PMCID: PMC3009063  PMID: 21589100

Results 1-25 (259548)