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1.  (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
2.  (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
3.  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
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.  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
6.  (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
7.  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
8.  4-[(E)-(4-Diethyl­amino-2-hy­droxy­benzyl­idene)amino]-1,5-dimethyl-2-phenyl-1H-pyrazol-3(2H)-one 
In the title compound, C22H26N4O2, the phenyl ring and hy­droxy­benzene group are twisted with respect to the central pyrazolone ring, making dihedral angles of 54.05 (5) and 21.80 (6)°, respectively. One of the ethyl groups is disordered over two positions with site occupancies of 0.872 (6) and 0.128 (6). The mol­ecular structure features short intra­molecular O—H⋯N and C—H⋯O contacts. The crystal packing exhibits weak inter­molecular C—H⋯O and C—H⋯π inter­actions.
doi:10.1107/S1600536811037615
PMCID: PMC3201426  PMID: 22064620
9.  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
10.  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
11.  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
12.  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
13.  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
14.  (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
15.  Methyl 2-meth­oxy-4-{[2-(4-nitro­phen­yl)hydrazinyl­idene]meth­yl}benzoate 
The mol­ecule of the title Schiff base compound, C16H15N3O5, obtained from a condensation reaction of 4-acet­oxy-3-meth­oxy­benzaldehyde and 4-nitro­phenyl­hydrazine, adopts an E geometry with respect to the C=N double bond. The mol­ecule is roughly planar, with the two benzene rings twisted slightly with respect to each other by a dihedral angle of 6.90 (9)°. In the crystal, inter­molecular N—H⋯O hydrogen bonds link centrosymmetrically related pairs of mol­ecules, forming dimers of R 2 2(22) graph-set motif. The dimers are further connected through slipped π–π inter­actions between symmetry-related benzene rings [centroid–centroid distance of 3.646 (1) Å, offset angle of 15.4°].
doi:10.1107/S160053681003802X
PMCID: PMC2983317  PMID: 21587632
16.  (E)-1-(3-Methoxy­phen­yl)ethanone 4-nitro­phenyl­hydrazone 
Crystals of the title compound, C15H15N3O3, were obtained from a condensation reaction of 4-nitro­phenyl­hydrazine and 3-methoxy­acetophenone. In the crystal structure, the methoxy­phenyl ring is twisted slightly with respect to the nitro­phenyl­hydrazine plane, making a dihedral angle of 14.81 (8)°. The nitro and meth­oxy groups are each coplanar with the attached benzene rings. The nitro­phenyl and methoxy­phenyl groups are located on opposite sides of the C=N double bond, indicating an E configuration of the mol­ecule. Adjacent mol­ecules are linked together via N—H⋯O hydrogen bonding, forming chains along the [101] direction.
doi:10.1107/S1600536808018618
PMCID: PMC2961743  PMID: 21202963
17.  (1E,2E)-1,2-Bis[1-(3-nitro­phen­yl)ethyl­idene]hydrazine 
The asymmetric unit of the title compound, C16H14N4O4, contains one half-mol­ecule of (nitro­phen­yl)ethanimine and the complete mol­ecule is generated by a crystallographic inversion centre. The mol­ecule has an E conformation with respect to each C=N double bond. The central C=N—N=C plane is twisted from the benzene rings with a dihedral angle of 24.76 (11)°. In the crystal, C—H⋯O inter­actions link the molecules to form sheets that lie parallel to (10-4).
doi:10.1107/S1600536812004722
PMCID: PMC3295435  PMID: 22412546
18.  5,5′,5′′-Triphenyl-2,2′,2′′-[2,4,6-tri­methyl­benzene-1,3,5-triyltris(methyl­idene­sulfanedi­yl)]tris­(1,3,4-oxadiazole) 
In the title compound, C36H30N6O3S3, the phenyl rings are twisted from the attached oxadiazole rings in the three arms by 1.5(2), 2.4 (2) and 25.7 (2)°. The crystal packing exhibits weak inter­molecular C—H⋯N inter­actions.
doi:10.1107/S1600536810040730
PMCID: PMC3009160  PMID: 21589021
19.  5-Fluoro-N′-[(E)-4-methoxy­benzyl­idene]-3-phenyl-1H-indole-2-carbohydrazide 
In the title mol­ecule, C23H18FN3O2, the mean plane of the indole system forms dihedral angles of 44.23 (8) and 14.54 (7)°, respectively, with the phenyl and benzene rings. In the crystal, inter­molecular N—H⋯O hydrogen bonds link mol­ecules into two-layer ribbons extended along the b axis. The crystal packing also exhibits weak inter­molecular C—H⋯O, C—H⋯F and C—H⋯π inter­actions.
doi:10.1107/S1600536810009098
PMCID: PMC2983761  PMID: 21580658
20.  N-(n-Dec­yl)-4-nitro­aniline 
N-(n-Dec­yl)-4-nitro­aniline, C16H26N2O2, crystallizes with two essentially planar mol­ecules in the asymmetric unit. The decyl chains are fully extended in an anti conformation. The mol­ecules pack in planar layers, within which mol­ecules are linked into chains by two approximately linear N—H⋯O hydrogen bonds between the amine N atom and one O atom of the nitro group of an adjacent mol­ecule. These mol­ecular chains propagate via inter­leaving of the decyl chains to form the two dimensional sheets. The sheets are associated exclusively via non-bonded contacts. The structure has features in common with those of other N-alkyl-4-nitro­anilines, but also subtle differences in packing.
doi:10.1107/S1600536808003310
PMCID: PMC2960866  PMID: 21201892
21.  A binuclear cobalt(II) complex of an NO3-donor Schiff base derived from 3-carboxyl­salicylaldehyde and 2-nitro­aniline 
In the crystal structure of the centrosymmetric title complex, bis­{μ-3-[(2-nitro­phen­yl)imino­meth­yl]-2-oxidobenzoato}dicobalt(II), [Co2(C14H8N2O5)2], in which the ligand is 3-[(2-nitro­phen­yl)imino­meth­yl]-2-oxidobenzoate, a Schiff base synthesized from 2-nitro­aniline with 3-carboxyl­salicyl­aldehyde, the two cobalt(II) ions in the mol­ecular unit are bridged by two phenolate O atoms of the ligands. Each metal centre has a distorted square-planar geometry. In the crystal structure, mol­ecules are linked by Co⋯O inter­actions involving the nitro O atoms, forming a two-dimensional network. There are also C—H⋯O and π–π stacking inter­actions [centroid–centroid distances of 3.5004 (2), 3.6671 (2) and 3.6677 (2) Å] between adjacent benzene rings of the two-dimensional networks, leading to the formation of a three-dimensional framework.
doi:10.1107/S1600536808042487
PMCID: PMC2968020  PMID: 21581483
22.  7-Meth­oxy-1-(4-nitro­benzo­yl)naph­thalen-2-yl 4-nitro­benzoate 
In the title compound, C25H16N2O8, the dihedral angle between the naphthalene ring system and the benzene ring of the nitro­phenyl ketone unit is 82.64 (7)°. The bridging ester O—C(=O)—C plane makes dihedral angles of 42.12 (8) and 11.47 (9)°, respectively, with the naphthalene ring system and the benzene ring of the nitro­phenyl ester unit. In the crystal, two types of weak inter­molecular C—H⋯O inter­actions are observed.
doi:10.1107/S1600536811027619
PMCID: PMC3213489  PMID: 22091068
23.  4-[1-(Hydroxy­imino)ethyl]-N-(4-nitro­benzyl­idene)aniline 
In the title compound, C15H13N3O3, the dihedral angle formed by the two benzene rings is 44.23 (2)°. The crystal structure is stabilized by aromatic π–π stacking inter­actions, with centroid-centroid distances of 3.825 (3) and 3.870 (4) Å between the aniline and the nitro­benzene rings of neighbouring mol­ecules, respectively. In addition, the stacked mol­ecules exhibit inter­molecular C—H⋯N and C—H⋯O inter­actions.
doi:10.1107/S1600536809033753
PMCID: PMC2970305  PMID: 21577917
24.  (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
25.  (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

Results 1-25 (143507)