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1.  (E)-N-(3,3-Di­phenyl­allyl­idene)-2-(tri­fluoro­meth­yl)aniline 
In the title compound, C22H16F3N, the C=N bond of the central imine group adopts an E conformation. The dihedral angles between the 2-(tri­fluoro­meth­yl)phenyl ring and the benzene rings are 9.34 (1) and 68.8 (1)°. The imine group displays a C—C—N=C torsion angle of 41.6 (3)°. In the crystal, weak C—H⋯F hydrogen bonds link the mol­ecules into chains parallel to the b-axis direction.
doi:10.1107/S1600536813010283
PMCID: PMC3648283  PMID: 23723903
2.  (E)-N-(3,3-Diphenyl­allyl­idene)-3-nitro­aniline 
In the title compound, C21H16N2O2, the 3-nitro­phenyl and two phenyl rings are twisted from the mean plane of the enimino fragment by 44.4 (1), 37.2 (1) and 74.1 (1)°, respectively. The crystal packing exhibits no classical inter­molecular contacts.
doi:10.1107/S1600536812040354
PMCID: PMC3470384  PMID: 23125797
3.  (E)-N-(3,3-Di­phenyl­allyl­idene)naph­thal­en-1-amine 
The title compound, C25H19N, adopts an E conformation about the C=N bond. The naphthalene ring system and the phenyl rings form dihedral angles 38.1 (1), 46.9 (8) and 48.5 (1)°, respectively, with the mean plane of the central enimino fragment. The crystal packing exhibits no directional close contacts.
doi:10.1107/S1600536813014888
PMCID: PMC3772462  PMID: 24046605
4.  (E)-2-(1,3-Diphenyl­allyl­idene)malononitrile 
The title compound, C18H12N2, adopts an E conformation with the benzyl­idenemalononitrile and phenyl groups located on opposite sides of the C=C bond. The two phenyl rings are oriented at a dihedral angle of 62.49 (7)°.
doi:10.1107/S1600536809048338
PMCID: PMC2972044  PMID: 21578880
5.  (E)-N′-(3,3-Diphenyl­allyl­idene)-p-toluene­sulfonohydrazide 
In the title compound, C22H20N2O2S, the mol­ecule adopts a twisted E configuration around the C=N bond. The two phenyl rings are twisted from each other, making a dihedral angle of 78.00 (12)°. The methyl-substituted benzene ring makes dihedral angles of 32.37 (14) and 69.70 (12)° with the two phenyl rings. In the crystal structure, mol­ecules are linked into extended chains along the b axis through inter­molecular N—H⋯O hydrogen bonds.
doi:10.1107/S1600536809013269
PMCID: PMC2977737  PMID: 21583873
6.  (E)-N-[(E)-3-(4-Nitro­phen­yl)allyl­idene]naphthalen-1-amine 
In the title compound, C19H14N2O2, the dihedral angle between the mean planes of the 4-nitro­phenyl ring and the naphthalene ring system is 12.79 (2)°. The imine group displays a C—C—N=C torsion angle of 41.0 (2)° and the C=N group has an E conformation. In the crystal, weak C—H⋯O hydrogen bonds link molecules into layers parallel to the b axis.
doi:10.1107/S1600536813006417
PMCID: PMC3629600  PMID: 23634087
7.  N-(3-Nitro­benzyl­idene)aniline 
In the title compound, C13H10N2O2, a Schiff base derivative, the dihedral angle between the two aromatic rings is 31.58 (3)°. The C=N double bond is essentially coplanar with the nitro­phenyl ring. The torsion angle of the imine double bond is 175.97 (13)°, indicating that the C=N double bond is in a trans configuration. The crystal structure is stabilized by C—H⋯O contacts and π–π inter­actions (centroid–centroid distances of 3.807 and 3.808Å).
doi:10.1107/S1600536808036970
PMCID: PMC2960009  PMID: 21581353
8.  4-[(1,3-Dioxo-2,3-dihydro-1H-benzo[de]isoquinolin-2-yl)meth­yl]-N′-[(E)-4-nitro­benzyl­idene]benzene­sulfono­hydrazide dimethyl sulfoxide monosolvate 
The mol­ecular structure of the title compound, C26H18N4O6S·C2H6OS, shows an E conformation of the hydrazone double bond. The presence of a methyl­ene group between the benzo[de]isoquinoline and benzene­sulfonyl moieties allows the 4-nitro­phenyl ring and the benzo[de]isoquinoline system to be parallel with respect to each other, so that the mol­ecule adopts a U-shaped spatial conformation. The dihedral angle between mean planes of these aromatic groups is 4.4 (1)°. This special arrangement enables neighboring mol­ecules to be inter­calated, forming slipped π–π inter­actions [centroid–centroid distance = 3.535 (2) Å] between the 4-nitro­phenyl and benzo[de]isoquinoline groups and point-to-face C—H⋯π inter­actions between the benzo[de]isoquinoline and benzene­sulfonyl aromatic systems. In addition, the crystal packing also features an inter­molecular N—H⋯O inter­action involving the amine group and the dimethyl sulfoxide solvent mol­ecule.
doi:10.1107/S1600536811004697
PMCID: PMC3051948  PMID: 21522382
9.  {2-[(4-Nitro­benzyl­idene)amino]-4,5,6,7-tetrahydro-1-benzo­thio­phen-3-yl}(phen­yl)methanone 
In the title compound, C22H18N2O3S, disorder is found in the benzoyl group (A and B), as well as for four C atoms of the cyclo­hexene ring. Two orientations were modeled in a 0.583 (5):0.417 (5) ratio. The cyclo­hexene ring is in a distorted chair conformation. The dihedral angles between the mean plane of the thio­phene ring and the 4-nitro­benzene and phenyl rings are 30.9 (8) and 64.8 (3) (A) and 62.4 (7)° (B). The mean planes of the 4-nitro­benzene and the phenyl rings are almost perpendicular to each other, with dihedral angles of 85.4 (1) (A) and 83.9 (8)° (B). An extensive array of weak C—H⋯O inter­actions consolidate mol­ecules into a three-dimensional architecture, forming chains along [001] and [010] and layers parallel to (011).
doi:10.1107/S1600536814012185
PMCID: PMC4051066  PMID: 24940302
10.  N-(1,5-Dimethyl-3-oxo-2-phenyl-2,3-di­hydro-1H-pyrazol-4-yl)-2-(4-nitro­phen­yl)acetamide 
In the title compound, C19H18N4O4, the nitro­phenyl and phenyl rings are twisted by 67.0 (6) and 37.4 (4)°, respectively, with respect to the pyrazole ring plane [maximum deviation = 0.0042 (16) Å]. The dihedral angle between the mean planes of the phenyl rings is 59.3 (3)°. The amide group, with a C—N—C—C torsion angle of 177.54 (13)°, is twisted away from the plane of the pyrazole ring in an anti­periplanar conformation. In the crystal, N—H⋯O hydrogen bonds involving the carbonyl group on the pyrazole ring and the amide group, together with weak C—H⋯O inter­actions forming R 2 2(10) graph-set motifs, link the mol­ecules into chains along [100]. Additional weak C—H⋯O inter­actions involving the nitro­phenyl rings further link the mol­ecules along [001], also forming R 2 2(10) graph-set motifs, thereby generating (010) layers.
doi:10.1107/S1600536814009738
PMCID: PMC4051092  PMID: 24940224
11.  (E)-1-[2-(Methyl­sulfan­yl)phen­yl]-2-({(E)-2-[2-(methyl­sulfan­yl)phen­yl]hydrazinyl­idene}(nitro)­meth­yl)diazene 
In the title compound, C15H15N5O2S2, the phenyl rings make dihedral angles of 4.03 (4) and 9.77 (5)° with the plane defined by the central N—N—C—N—N atoms (r.m.s. deviation = 0.010 Å). The C—S—C—C torsion angles of the methyl­sulfanyl groups with their respective phenyl rings are −7.47 (13) and −72.07 (13)°. The shortest centroid–centroid distance of 3.707 Å occurs between the two π-systems N—N—C—N—N and the benzene ring in the diazene 1-position. The H atom bound to the N atom is involved in intra­molecular N—H⋯N and N—H⋯S contacts, while the nitro O atoms are involved in inter­molecular C—H⋯O contacts.
doi:10.1107/S1600536811054080
PMCID: PMC3254534  PMID: 22259480
12.  (2E)-3-(4-Methyl­phen­yl)-1-(3-nitro­phen­yl)prop-2-en-1-one 
The title compound, C16H13NO3, crystallizes with two independent mol­ecules (A and B) in the asymmetric unit. The dihedral angle between the mean planes of the 4-methyl­phenyl and 3-nitro­phenyl groups is 4.0 (3)° in mol­ecule A and 16.2 (7)° in mol­ecule B. Inter­molecular C—H⋯O hydrogen bonding involving the O atoms of the 3-nitro­phenyl group of both independent mol­ecules link the mol­ecules into layers approximately parallel to the (110) plane. The layers are held together by π–π stacking inter­actions between the 4-methyl­phenyl ring of mol­ecule A and the 3-nitro­phenyl ring of mol­ecule B of the adjacent layer, with the distance between the centroids of inter­acting rings being 3.6987 (7) Å.
doi:10.1107/S160053680706182X
PMCID: PMC2914892  PMID: 21200665
13.  2-[1-(3-{2-[(2-Hy­droxy­benzyl­idene)amino]­phen­oxy}prop­yl)-1H-1,3-benzodiazol-2-yl]phenol 
In the title compound, C29H25N3O3, the imine double bond has an E configuration. The dihedral angle between the hy­droxy­phenyl and benzene rings in the imine moiety is 26.95 (9)°, and the dihedral angle between the hy­droxy­phenyl and benzimidazole rings in the other moiety is 14.83 (9)°. These angles are probably limited to small values as a consequence of two strong intra­molecular O—H⋯N hydrogen bonds formed between the hy­droxy groups and the imine and imidazole N atoms. The aliphatic chain linking the two ring systems has a gauche conformation, as reflected in C—C—C—O torsion angle of 70.9 (2)°.
doi:10.1107/S1600536811005319
PMCID: PMC3052110  PMID: 21522409
14.  (E)-1-(4-Nitro­benzyl­idene)-2,2-diphenyl­hydrazine 
The asymmetric unit of the title compound, C19H15N3O2, contains two mol­ecules, both of which show an E conformation of the imine bond. The dihedral angles between the phenyl rings in the phenyl­hydrazine groups are 86.09 (6) and 83.41 (5)° in the two mol­ecules. The 4-nitrobenzene rings show torsion angles of 4.4 (2) and 10.9 (2)° from the two C=N—N planes. In the crystal, C—H⋯π inter­actions and C—H⋯O hydrogen bonds are observed growing along the a, b and c axes, resulting in a complex supramolecular array.
doi:10.1107/S1600536812043681
PMCID: PMC3515317  PMID: 23284537
15.  6-Bromo-1-methyl-4-[2-(4-nitro­benzyl­idene)hydrazin-1-yl­idene]-2,2-dioxo-3,4-dihydro-1H-2λ6,1-benzothia­zine 
In the title compound, C16H13BrN4O4S, the dihedral angle between the aromatic rings is 4.1 (2)° and the C=N—N=C torsion angle is 175.5 (3)°. The nitro group is almost coplanar with the benzene ring to which it is attached [dihedral angle = 2.9 (7)°]. The thia­zine ring has an S-envelope conformation with the S atom displaced by 0.819 (3) Å from the mean plane of the other five atoms (r.m.s. deviation = 0.017 Å). In the crystal, C—H⋯O inter­actions link the mol­ecules and weak aromatic π–π stacking [centroid–centroid separation = 3.874 (2) Å] is also observed.
doi:10.1107/S1600536812035374
PMCID: PMC3435732  PMID: 22969603
16.  2-{(E)-1-[2-(4-Nitro­phen­yl)hydrazin-1-yl­idene]eth­yl}benzene-1,3-diol 
The title compound, C14H13N3O4, is close to planar, the dihedral angle between the terminal benzene rings being 5.80 (16)°; the nitro group is coplanar with the benzene ring to which it is bonded [O—N—C—C torsion angle = −177.3 (3)°]. The hy­droxy group forms an intra­molecular hydrogen bond with the imine N atom, and the conformation about the imine bond is E. In the crystal, layers in the (101) plane with an undulating topology are formed by O—H⋯O and N—H⋯O hydrogen bonds along with C—H⋯O inter­actions. Centrosymmetrically related layers are connected via π–π inter­actions [ring centroid–centroid distance = 3.5739 (19) Å] into double layers.
doi:10.1107/S1600536812005399
PMCID: PMC3295468  PMID: 22412579
17.  Dimethyl (2Z)-2-[4-((1Z)-1-{2-[(2Z,5Z)-5-(2-meth­oxy-2-oxo­ethyl­idene)-4-oxo-3-phenyl-1,3-thia­zolidin-2-yl­idene]hydra­zin-1-yl­idene}eth­yl)anilino]but-2-ene­dio­ate 
The mol­ecule of the title compound, C26H24N4O7S, adopts a trans conformation about the central N—N bond, presumably to minimize steric between the substituents on these two atoms. An intra­molecular N—H⋯O hydrogen bond occurs. The phenyl ring is disordered over two sets of sites, with an occupancy ratio of 0.624 (8):0.376 (8). The azolidine ring is essentially planar [maximum deviation = 0.008 (5) Å] and makes a dihedral angle of 4.3 (2)° with the benzene ring and dihedral angles of 74.1 (3) and 69.1 (5)°, respectively, with the mean planes of the major and minor components of the disordered phenyl ring. The packing in the crystal is aided by the formation of several weak C—H⋯O and C—H⋯N inter­actions.
doi:10.1107/S1600536813032042
PMCID: PMC3885086  PMID: 24454262
18.  1-(2,4-Di­nitro­phen­yl)-2-[(E)-(3,4,5-tri­meth­oxy­benzyl­idene)]hydrazine 
Mol­ecules of the title compound, C16H16N4O7, are not planar with a dihedral angle of 5.50 (11)° between the substituted benzene rings. The two meta-meth­oxy groups of the 3,4,5-tri­meth­oxy­benzene moiety lie in the plane of the attached ring [Cmeth­yl–O–C–C torsion angles −0.1 (4)° and −3.7 (3)°] while the para-meth­oxy substituent lies out of the plane [Cmeth­yl—O—C—C, −86.0 (3)°]. An intra­molecular N—H⋯O hydrogen bond involving the 2-nitro substituent generates an S(6) ring motif. In the crystal structure, mol­ecules are linked by weak C—H⋯O inter­actions into screw chains, that are arranged into a sheet parallel to the bc plane. These sheets are connected by π–π stacking inter­actions between the nitro and meth­oxy substituted aromatic rings with a centroid–centroid separation of 3.9420 (13) Å. C—H⋯π contacts further stabilize the two-dimensional network.
doi:10.1107/S1600536814001238
PMCID: PMC3998339  PMID: 24764900
19.  (E)-4-Meth­oxy-N′-(2,4,5-tri­meth­oxy­benzyl­idene)benzohydrazide hemihydrate 
The title compound crystallizes as a hemihydrate, C18H20N2O5·0.5H2O. The mol­ecule exists in an E conformation with respect to the C=N imine bond. The 4-meth­oxy­phenyl unit is disordered over two sets of sites with a refined occupancy ratio of 0.54 (2):0.46 (2). The dihedral angles between the benzene rings are 29.20 (9) and 26.59 (9)°, respectively, for the major and minor components of the 4-meth­oxy-substituted ring. All meth­oxy substituents lie close to the plane of the attached benzene rings [the Cmeth­yl—O—C—C torsion angles range from −4.0 (12) to 3.9 (2)°]. In the crystal, the components are linked into chains propagating along [001] via N—H⋯O and O—H⋯O hydrogen bonds and weak C—H⋯O inter­actions.
doi:10.1107/S1600536814000531
PMCID: PMC3998312  PMID: 24764873
20.  2-(4-Chloro-2-nitro­phen­yl)-9-phenyl­sulfonyl-9H-carbazole-3-carbaldehyde 
In the title compound, C25H15ClN2O6S, the carbazole ring system is essentially planar, with a maximum deviation of 0.152 (3) Å for the C atom to which the 4-chloro-2-nitro­phenyl ring is attached. Its mean plane is almost orthogonal to the phenyl­sulfonyl and nitro­phenyl rings, making dihedral angles of 82.64 (14) and 79.89 (13)°, respectively. The N atom of the nitro group deviates by 0.032 (3) Å from the benzene ring to which it is attached. The mol­ecular structure features intra­molecular O—H⋯O and C—H⋯O hydrogen bonds, which generate three S(6) ring motifs. In the crystal, mol­ecules are linked by C—H⋯O hydrogen bonds, which generate C(6) and C(9) chains running in the [100] and [010] directions, respectively, forming a two-dimensional network lying parallel to (001). There are also R 4 3(28) supra­molecular graph-set ring motifs enclosed within these networks.
doi:10.1107/S1600536813022253
PMCID: PMC3884462  PMID: 24427055
21.  (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
22.  3-[3-Methyl-4-(3-nitro­benzyl­idene­amino)-5-sulfanyl­idene-4,5-dihydro-1H-1,2,4-triazol-1-yl]-1,3-diphenyl­propan-1-one 
In the title mol­ecule, C25H21N5O3S, the triazole ring forms dihedral angles of 21.4 (2), 61.4 (2) and 102.4 (2)° with the nitro­phenyl and two phenyl rings, respectively. In the crystal, weak C—H⋯O hydrogen bonds and π–π inter­actions between the benzene rings from neighbouring mol­ecules [with a centroid–centroid distance of 3.571 (3) Å] consolidate the crystal packing.
doi:10.1107/S1600536811033587
PMCID: PMC3200841  PMID: 22059037
23.  (E,E)-1,2-Bis(2,4,5-trimeth­oxy­benzyl­idene)hydrazine 
The asymmetric unit of the title compound, C20H24N2O6, contains one half-mol­ecule, the complete mol­ecule being generated by a crystallographic inversion centre. The mol­ecule is nearly planar with a dihedral angle between the two benzene rings of 0.03 (4)° and the central C/N/N/C plane making a dihedral angle of 8.59 (7)° with each of its two adjacent benzene rings. The two meth­oxy groups at the ortho and meta positions are slightly twisted [C—O—C—C torsion angles = 7.23 (12) and 5.73 (13)°], whereas the meth­oxy group at the para position is almost coplanar with the attached benzene ring [C—O—C—C torsion angle = −2.02 (13)°]. The crystal structure is stabilized by a weak C—H⋯π inter­action.
doi:10.1107/S1600536811019040
PMCID: PMC3120387  PMID: 21754887
24.  rac-3-{4-[(4-Nitro­benzyl­idene)amino]-3-phenyl-5-sulfanyl­idene-4,5-dihydro-1H-1,2,4-triazol-1-yl}-1,3-diphenyl­propan-1-one 
In the title mol­ecule, C30H23N5O3S, the 1,2,4-triazole ring is approximately planar (r.m.s. deviation = 0.006 Å), and forms dihedral angles of 66.0 (2), 65.1 (2), 30.1 (2) and 28.1 (2)° with the four phenyl rings. The phenyl ring of the benzyl group directly attached to the triazole ring is almost perpendicular to the nitro­phenyl ring, making a dihedral angle of 84.9 (2)°.
doi:10.1107/S1600536811035197
PMCID: PMC3201282  PMID: 22058798
25.  1-Piperonylpiperazinium picrate 
In the cation of the title salt [systematic name: 4-(2H-1,3-benzodioxol-5-ylmeth­yl)piperazin-1-ium 2,4,6-tri­nitro­phen­o­late], C12H17N2O2 +·C6H2N3O7 −, the piperazine ring adopts a slightly disordered chair conformation. The piperonyl ring system and the piperazine ring are twisted with respect to each other with an N—C—C—C torsion angle of 40.7 (2)°. In the anion, the dihedral angles between the mean planes of the nitro substituents ortho to the phenolate O atom and the mean plane of the phenyl ring are 28.8 (9) and 32.2 (8)°. In contrast, the nitro group in the para position lies much closer to the aromatic ring plane, subtending a dihedral angle of 3.0 (1)°. In the crystal, the cations and anions inter­act through N—H⋯O hydrogen bonds and a weak C—H⋯O inter­action. Weak C—H⋯O inter­actions are also observed between the anions, forming R 2 2(10) graph-set ring motifs. In addition, a weak centroid–centroid π–π stacking inter­action between the aromatic rings of the cation and the anion, with an inter­centroid distance of 3.7471 (9) Å, contributes to the crystal packing, resulting in a two-dimensional network along (10-1).
doi:10.1107/S1600536814001524
PMCID: PMC3998354  PMID: 24764915

Results 1-25 (954386)