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1.  (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
2.  (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
3.  (E)-N-(3,3-Diphenyl­allyl­idene)-4-nitro­aniline 
In the title compound, C21H16N2O2, the dihedral angles between the mean planes of the 4-nitro­phenyl ring and the two phenyl rings are 57.3 (5) and 16.8 (6)°. The imine group displays a C—C—N—C torsion angle of −24.9 (3)°.
doi:10.1107/S1600536812040391
PMCID: PMC3470385  PMID: 23125798
4.  (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
5.  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
6.  3-Methyl-4-{[(3-{[(3-methyl-5-oxo-1-phenyl-4,5-dihydro-1H-pyrazol-4-yl­idene)(phen­yl)meth­yl]amino­meth­yl}benz­yl)amino](phen­yl)methyl­idene}-1-phenyl-1H-pyrazol-5(4H)-one 
The complete mol­ecule of the title compound, C42H36N6O2, is generated by a crystallographic twofold axis with two C atoms of the central phenyl group lying on the axis. In the independent part of the mol­ecule, one amino group is involved in an intra­molecular N—H⋯O hydrogen bond, and the two adjacent phenyl rings are twisted from the plane of the pyrazolone ring with dihedral angles of 6.82 (3) and 88.32 (6)°. The crystal packing exhibits no classical inter­molecular contacts.
doi:10.1107/S1600536811027000
PMCID: PMC3213468  PMID: 22091047
7.  (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
8.  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
9.  (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
10.  (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
11.  2-Hy­droxy-5-[(E)-(1H-indol-3-yl­methyl­idene)aza­nium­yl]benzoate 
The zwitterionic title compound, C16H12N2O3, was obtained as a result of the condensation of 5-amino­salicylic acid and 1H-indole-3-carbaldehyde. The whole mol­ecule is roughly planar: the 4-hy­droxy­anilinic group and the 1H-indole-3-carbaldehyde moieties are only slightly twisted, making a dihedral angle of 7.77 (11)°, whereas, the carboxyl­ate group makes a dihedral angle of 3.34 (45)° with the parent 4-hy­droxy­anilinic group. S(6) ring motifs are formed due to intra­molecular O—H⋯O hydrogen bonding. In the crystal, inter­molecular N—H⋯O and C—H⋯O hydrogen bonds build up pseudo-rings with R 1 2(4), R 2 1(7) and R 2 2(14) ring motifs. These pseudo-dimers are further linked by N—H⋯O hydrogen bonds into a chain extending along [101]. C—H⋯π inter­actions also occur, along with offset π–π inter­actions between the anilinic phenyl and the heterocyclic five-membered rings with a centroid–centroid distance of 3.5716 (19) Å.
doi:10.1107/S1600536810048579
PMCID: PMC3011759  PMID: 21589591
12.  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
13.  3-[3-Methyl-4-(4-nitro­benzyl­idene­amino)-5-sulfanyl­idene-4,5-dihydro-1H-1,2,4-triazol-1-yl]-1,3-diphenyl­propan-1-one dichloro­methane monosolvate 
In the title compound, C25H21N5O3S·CH2Cl2, the dichloro­methane solvent mol­ecule is disordered over four positions, with an occupancy ratio of 0.271 (3):0.3884 (18):0.298 (2):0.0424 (15). The 1,2,4-triazole ring makes dihedral angles of 47.3 (2)/87.3 (2) and 3.6 (2)° with the phenyl and nitro­phenyl rings, respectively. An intra­molecular C—H⋯S hydrogen bond results in the formation of an almost planar six-membered ring [r.m.s. derivation = 0.0051 (2) Å]. Inter­molecular C—H⋯O hydrogen bonding consolidates the structure.
doi:10.1107/S1600536811043777
PMCID: PMC3247519  PMID: 22220137
14.  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
15.  Bis{4-[(Z)-N′-(4-hydroxy­benzyl­idene)hydrazino]-8-(trifluoro­meth­yl)quinolinium} sulfate dihydrate 
The title compound, 2C17H13F3N3O+·SO4 2−·2H2O, crystallizes with four independent cations (A, B, C and D) in the asymmetric unit, which is composed of two groups of two cations, one anion and two water mol­ecules (Z′ = 2). The dihedral angle between the mean planes of the 4-hydroxy­phenyl and quinolinium groups is 8.9 (7)° in A, 30.1 (6)° in B, 28.8 (8)° in C and 12.8 (1)° in D. The crystal packing is stabilized by inter­molecular O—H⋯O and N—H⋯O hydrogen bonding between H atoms from 4-hydroxy­phenyl O atoms and the O atoms of nearby water molecules and sulfate anions, as well as H atoms from the N atom of the hydrazino group to O atoms of neighboring sulfate anions, linking the components into chains with the 4-hydroxy­phenyl and quinolinium rings parallel to the (011) plane. There is also an extensive array of inter­molecular hydrogen bonds between water mol­ecules themselves and with sulfate O atoms, as well as hydrogen-bond inter­actions between H atoms from the hydrazino group and sulfate O atoms. In addition, inter­molecular π–π stacking inter­actions occur between nearby 4-hydroxy­phenyl and quinolinium groups, with distances between the centroids of inter­acting rings in the range 3.4140 (9)–3.9659 (9) Å.
doi:10.1107/S1600536808000561
PMCID: PMC2960448  PMID: 21201506
16.  3-{4-[(2-Hy­droxy­benzyl­idene)amino]-3-methyl-5-sulfanyl­idene-4,5-dihydro-1H-1,2,4-triazol-1-yl}-1,3-diphenyl­propan-1-one 
There are two crystallographically independent mol­ecules (A and B) in the asymmetric unit of the title compound, C25H22N4O2S, with almost identical mol­ecular conformations. The hy­droxy­phenyl ring plane and the 1,2,4-triazole ring form dihedral angles of 17.1 (2) and 7.4 (2)° in A and B, respectively. The dihedral angles between 1,2,4-triazole ring and the other two phenyl rings are 89.6 (3) and 83.3 (2)° in mol­ecule A, and 89.2 (3) and 82.2 (2)° in mol­ecule B. One intra­molecular O—H⋯N hydrogen bond is present in each mol­ecule. Weak inter­molecular C—H⋯O hydrogen bonds consolidate the crystal packing.
doi:10.1107/S1600536811034878
PMCID: PMC3200874  PMID: 22059065
17.  Diethyl 2-{[2-(trifluoro­meth­yl)anil­ino]methyl­idene}propane­dioate 
The title compound, C15H16F3NO4, is an N-substituted derivative of ortho-trifluoro­methyl­aniline featuring a twofold Michael system. The least-squares planes defined by the atoms of the phenyl ring and the atoms of the Michael system enclose an angle of 15.52 (5)°. Apart from classical intra­molecular N—H⋯O and N—H⋯F hydrogen bonds, inter­molecular C—H⋯O contacts are observed, the latter connecting the mol­ecules into chains along [110]. The shortest inter­centroid distance between two aromatic systems is 3.6875 (9) Å.
doi:10.1107/S1600536812002590
PMCID: PMC3275258  PMID: 22347114
18.  Benzyl 3-[(E)-2-nitro­benzyl­idene]dithio­carbazate 
The title compound, C15H13N3O2S2, was obtained from a condensation reaction of benzyl dithio­carbazate and 2-nitro­benzaldehyde. In the mol­ecule, the nearly planar dithio­carbazate fragment [r.m.s deviation = 0.0264 Å] is oriented at dihedral angles of 7.25 (17) and 74.09 (9)°with respect to the two benzene rings. The nitro group is twisted by a dihedral angle of 22.4 (7)° to the attached benzene ring. The nitro­benzene ring and dithio­carbazate fragment are located on the opposite sides of the C=N bond, showing an E configuration. In the crystal, mol­ecules are linked via inter­molecular N—H⋯S hydrogen bonds, forming centrosymmetric supra­molecular dimers. Weak C—H⋯π inter­action is also observed in the crystal structure.
doi:10.1107/S1600536811028686
PMCID: PMC3213549  PMID: 22091126
19.  4-{2-[2-(4-Chloro­benzyl­idene)hydrazinyl­idene]-3,6-dihydro-2H-1,3,4-thia­diazin-5-yl}-3-phenyl­sydnone 
The title compound, C18H13ClN6O2S, exists in trans and cis configurations with respect to the acyclic C=N bonds [C=N = 1.2837 (15) and 1.3000 (14) Å, respectively]. The 3,6-dihydro-2H-1,3,4-thia­diazine ring adopts a half-boat conformation. The sydnone ring is approximately planar [maximum deviation = 0.002 (1) Å] and forms dihedral angles of 50.45 (7) and 61.21 (6)° with the aromatic rings. In the crystal, inter­molecular N—H⋯N, C—H⋯Cl and C—H⋯S hydrogen bonds link the mol­ecules into layers parallel to ab plane. The crystal packing is stabilized by C—H⋯π inter­actions and further consolidated by π–π inter­actions involving the phenyl rings [centroid–centroid distance = 3.6306 (7) Å].
doi:10.1107/S1600536811013912
PMCID: PMC3089094  PMID: 21754481
20.  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
21.  [μ-Bis(diphenyl­arsino)methane-1:2κ2 As:As′]nona­carbonyl-1κ3 C,2κ3 C,3κ3 C-tricyclo­hexyl­phosphine-3κP-triangulo-triruthenium(0) 
In the title triangulo-triruthenium compound, [Ru3(C25H22As2)(C18H33P)(CO)9], the bis­(diphenyl­arsino)methane ligand bridges an Ru—Ru bond and the monodentate phosphine ligand bonds to the third Ru atom. Both the phosphine and arsine ligands are equatorial with respect to the Ru3 triangle. In addition, each Ru atom carries one equatorial and two axial terminal carbonyl ligands. All three cyclo­hexane rings are disordered over two positions with site occupancies of 0.628 (6) and 0.372 (6). The mean planes of these three phosphine-substituted cyclo­hexane rings make dihedral angles of 53.0 (8), 68.3 (6) and 89.9 (7)° (major components), and 46.7 (14), 41.3 (11) and 75.8 (10)° (minor components) with each other. The dihedral angles between the two phenyl rings are 85.0 (2) and 88.1 (2)° for the two diphenyl­arsino groups. Two cyclo­hexane rings adopt a chair conformation whereas the other adopts a slightly twisted chair conformation for the major components; these conformations are similiar for the minor components. Intra­molecular C—H⋯O hydrogen bonds stabilize the mol­ecular structure. In the crystal packing, the mol­ecules are linked together into chains via inter­molecular C—H⋯O hydrogen bonds down the a axis. Weak inter­molecular C—H⋯π inter­actions further stabilize the crystal structure.
doi:10.1107/S1600536809047977
PMCID: PMC2972057  PMID: 21578646
22.  N′-[(1E,2E)-1-(2-Phenyl­hydrazin-1-yl­idene)-1-(phenyl­sulfon­yl)propan-2-yl­idene]benzohydrazide 
The configuration about each C=N bond in the title compound, C22H20N4O3S, is E. While to a first approximation the phenyl­hydrazin-1-yl­idene and benzohydrazide residues are coplanar, in part due to the presence of an intra­molecular N—H⋯N hydrogen bond, significant twists are evident in the orientations of the hydrazine [N—N—C—C torsion angle = −170.74 (11)°] and benzoyl benzene [N—C—C—C = −21.72 (18)°] rings. The sulfonyl benzene ring occupies a position almost normal to the rest of the mol­ecule [C—S—C—N = −92.28 (10)°]. Centrosymmetric aggregates mediated by pairs of hydrazide–sulfonyl N—H⋯O hydrogen bonds are the predominant packing motif in the crystal. These are connected into linear supra­molecular chains via C—H⋯O inter­actions which are, in turn, linked into layers in the ac plane via C—H⋯π inter­actions. Connections between layers along the b-axis direction are of the π–π type and occur between centrosymmetrically related hydrazine-bound benzene rings [centroid–centroid separation = 3.7425 (9) Å].
doi:10.1107/S1600536811031953
PMCID: PMC3200681  PMID: 22058945
23.  (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
24.  (E)-N′-[1-(Thio­phen-2-yl)ethyl­idene]benzohydrazide 
The title compound, C13H12N2OS, was obtained from the condensation reaction of 2-acetyl­thio­phene and benzohydrazide. In the mol­ecule, the formohydrazide fragment is approximately planar (r.m.s deviation = 0.0146 Å) and the mean plane is oriented at dihedral angles of 24.47 (11) and 28.86 (13)°, respectively, to the phenyl and thio­phene rings. The thio­phene and phenyl rings make a dihedral angle of 53.21 (8)°. The benzamide fragment and thio­phene ring are located on the opposite sides of the C=N bond, showing an E conformation. Classical inter­molecular N—H⋯O hydrogen bonds and weak C—H⋯O inter­actions are present in the crystal structure: three such bonds occur to the same O-atom acceptor.
doi:10.1107/S1600536811033101
PMCID: PMC3200815  PMID: 22059048
25.  N,N′-Bis[(E)-4-nitro­benzyl­idene]-4,4′-oxydianiline 
The title compound, C26H18N4O5, can be regarded as an extended ether with two terminal nitro groups. The two aryl rings bonded to the central O atom form a dihedral angle of 75.72 (6)°, and the terminal nitro groups are slightly twisted [by 6.4 (2) and 3.3 (3)°] from the benzene rings to which they are attached. The crystal packing exhibits weak inter­molecular C—H⋯O hydrogen bonds and π–π inter­actions [centroid–centroid distances = 3.794 (3) Å].
doi:10.1107/S1600536809033844
PMCID: PMC2969895  PMID: 21577659

Results 1-25 (212321)