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1.  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
2.  (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
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.  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
5.  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
6.  (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
7.  (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
8.  (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
9.  (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
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.  1-[(Bromo­meth­yl)(phen­yl)meth­ylene]-2-(2,4-dinitro­phen­yl)hydrazine 
The title compound, C14H11BrN4O4, comprises two crystallographically independent mol­ecules (A and B) in the asymmetric unit. In mol­ecule B, intra­molecular bifurcated N—H⋯O and N—H⋯Br hydrogen bonds and in mol­ecule A, an intra­molecular N—H⋯O hydrogen bond generate S(6) ring motifs. The dihedral angle between the phenyl and benzene rings is 5.44 (6) in mol­ecule A and 7.63 (6)° in mol­ecule B. The ortho- and meta-nitro substituents make dihedral angles of 6.67 (15) and 2.26 (15)° to the attached benzene ring in mol­ecule A and 6.37 (17) and 5.81 (16)° in mol­ecule B. The Br atom in mol­ecule B is disordered over two positions with a refined site-occupancy ratio of 0.61 (3):0.39 (3). Inter­esting features of the crystal structure are the short Br⋯N [3.257 (3)–3.294 (4) Å], Br⋯O [3.279 (3)–3.307 (4) Å] and O⋯O [2.9319 (16)–2.9995 (16) Å] contacts, which are shorter than the sum of the van der Waals radii of these atoms. The crystal structure is further stabilized by inter­molecular C—H⋯O and π–π inter­actions [centroid–centroid distances = 3.6643 (8)–3.8514 (8) Å].
doi:10.1107/S1600536809016225
PMCID: PMC2969738  PMID: 21583090
12.  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
13.  1-(2,4-Dinitro­phen­yl)-3-phenyl-4-phenyl­sulfanyl-1H-pyrazole 
In the title mol­ecule, C21H14N4O4S, the pyrazole ring forms dihedral angles of 45.6 (1), 87.7 (1) and 27.4 (1)° with the phenyl, sulfur-substituted benzene and nitro-substituted benzene rings, respectively. In the crystal, mol­ecules are connected by weak C—H⋯O and C—H⋯N hydrogen bonds into layers parallel to (010).
doi:10.1107/S1600536812036914
PMCID: PMC3470205  PMID: 23125649
14.  (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
15.  (2E)-1-(3-Bromo­phen­yl)-3-(4,5-dimeth­oxy-2-nitro­phen­yl)prop-2-en-1-one 
In the title compound, C17H14BrNO5, the dihedral angle between the 3-bromo-substituted benzene ring and the 4,5-dimeth­oxy-2-nitro-phenyl ring is 15.2 (1)°. The dihedral angles between the mean plane of the propenone group and the mean planes of the 3-bromo-substituted benzene and 4,5-dimeth­oxy-2-nitro­phenyl rings are 6.9 (6) and 20.5 (5)°, respectively. Weak inter­molecular C—H⋯O inter­actions contribute to crystal stability and π–π inter­actions [centroid–centroid distances = 3.7072 (18) and 3.6326 (18) Å] are also observed.
doi:10.1107/S1600536810041292
PMCID: PMC3009291  PMID: 21589107
16.  (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
17.  A second monoclinic polymorph of N-(2,4-dinitro­phen­yl)-2,4-dinitro­aniline 
The title compound, C12H7N5O8, was previously described in space group P21/n with Z = 4 [Wu et al. (2007 ▶). Acta Cryst. E63, o4194]. The current monoclinic P21/c polymorph was obtained from a mixed solution of dichloro­methane and hexane. The dihedral angle between the benzene rings is 44.16 (5)°, smaller than in the previously reported polymorph [56.3 (2)°]. As a result of the steric hinderance of the nitro groups, hydrogen bonding is limited intramolecularly. The dihedral angles between the phenyl rings and their attached nitro groups are 18.97 (6) and 17.71 (5)° at the 2-position, and 18.52 (6) and 32.41 (6)° at the 4-position.
doi:10.1107/S1600536812051288
PMCID: PMC3569221  PMID: 23424444
18.  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
19.  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
20.  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
21.  (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
22.  4-[(4-Amino­phen­yl)sulfon­yl]aniline–3,5-dinitro­benzoic acid (1/1) 
The title compound, C7H4N2O6·C12H12N2O2S, is a 1:1 cocrystal of the drug dapsone with 3,5-dinitro­benzoic acid. The dihedral angle between the two aromatic rings of the dapsone mol­ecule is 75.4 (2)°, and the dihedral angles between these rings and that of the 3,5-dinitro­benzoic acid are 64.5 (2) and 68.4 (2)°. A strong inter­molecular carb­oxy­lic acid O—H⋯Namine hydrogen bond is found, together with inter­molecular amine N—H⋯O hydrogen-bonding associations with carboxyl, nitro and sulfone O-atom acceptors. In addition, weak π–π inter­actions between one of the dapsone benzene rings and the 3,5-dinitro­benzoic acid ring [ring centroid separation = 3.774 (2) Å] results in a two-dimensional network structure.
doi:10.1107/S1600536812004709
PMCID: PMC3295457  PMID: 22412568
23.  (E)-1-(4-Bromo­phen­yl)-3-(2-chloro­phen­yl)prop-2-en-1-one 
The structure of the title compound, C15H10BrClO, comprises two substituted benzene rings bridged by a prop-2-en-1-one group and exists in an E configuration about the C=N double bond. The dihedral angle formed between the 4-bromo­phenyl and 2-chloro­phenyl rings is 23.77 (18)°. In the crystal structure, the mol­ecules are linked by weak C—H⋯O inter­actions, forming a supra­molecular zigzag chain. Intramolecular C—H⋯Cl and C—H⋯O hydrogen bonds are also present.
doi:10.1107/S1600536808020795
PMCID: PMC2962094  PMID: 21203178
24.  (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
25.  (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

Results 1-25 (260865)