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1.  4′-Phenyl-3,4-di­hydro-2H-spiro­[naph­tha­lene-1,3′-[1,2,4]triazole]-5′-thione 
In the title mol­ecule, C17H15N3S, the phenyl group makes a dihedral angle of 57.29 (11)° with the mean plane of the triazole ring, which in turn makes an angle of 86.83 (12)° with the plane of the aromatic portion of the tetra­hydro­naphthalene moiety. In the crystal, mol­ecules are linked by weak C—H⋯S hydrogen bonds into supra­molecular chains propagating along the a-axis direction. Weak C—H⋯π inter­actions are also observed.
PMCID: PMC4051013  PMID: 24940303
2.  (2E)-4-(4-Bromo­phen­yl)-2-{2-[(1E)-cyclo­pentyl­idene]hydrazin-1-yl­idene}-3-phenyl-2,3-di­hydro-1,3-thia­zole 
In the title compound, C20H18BrN3S, the cyclo­pentane ring adopts a half-chair conformation. The 4-bromo­phenyl and phenyl rings make dihedral angles of 34.6 (1) and 68.52 (6)°, respectively, with the di­hydro­thia­zole ring. In the crystal, the mol­ecules pack in sheets approximately parallel to (101) which are formed by weak C—H⋯Br inter­actions
PMCID: PMC4051030  PMID: 24940250
3.  Di-μ-chlorido-bis­(chlorido­{N′-[phen­yl(pyridin-2-yl-κN)methyl­idene]pyridine-2-carbohydrazide-κ2 N′,O}cadmium) 
The title compound, [Cd2Cl4(C18H14N4O)2], was obtained from the reaction of Cd(NO3)2·4H2O with 2-phenyl­pyridine­keton picolinoyl hydrazone and sodium chloride. Each Cd2+ cation is coordinated by two N atoms and one O atom of the tridentate ligand and three chloride anions, forming a distorted CdNOCl3 octahedron. Each pair of adjacent metal cations is linked by two bridging chloride ligands, resulting in a dinuclear complex unit. The mol­ecular conformation is stabilized by intra­molecular N—H⋯N and C—H⋯O hydrogen bonds. In the crystal, mol­ecules are linked by nonclassical C—H⋯O and C—H⋯Cl hydrogen bonds into a three-dimensional network. In addition, π–π stacking inter­actions [centroid–centroid distances = 3.777 (2) and 3.631 (2) Å] contribute to the stabilization of the crystal packing.
PMCID: PMC4051065  PMID: 24940201
4.  9-(3-Bromo-5-chloro-2-hy­droxy­phen­yl)-10-(2-hy­droxy­eth­yl)-3,6-diphenyl-3,4,9,10-tetra­hydro­acridine-1,8(2H,5H)-dione 
In the title compound, C33H27BrClNO4, the di­hydro­pyridine ring adopts a flattened boat conformation. The mol­ecular conformation is stabilized by an intra­molecular O—H⋯O hydrogen bond, with an S(8) ring motif. In the crystal, O—H⋯O, C—H⋯O and C—H⋯Cl hydrogen bonds, and C—H⋯π inter­actions link the mol­ecules, forming a three-dimensional network. In the acridinedione ring system, the two ring C atoms at the 2- and 3-positions, and the C atom at the 6-position and the atoms of the phenyl ring attached to the C atom at the 6-position are disordered over two sets of sites with occupancy ratios of 0.783 (5):0.217 (5) and 0.526 (18):0.474 (18), respectively.
PMCID: PMC4051074  PMID: 24940246
5.  4-Phenyl-1,2,4-tri­aza­spiro­[4.6]undec-1-ene-3-thione 
In the title compound, C14H17N3S, the plane of the phenyl ring makes a dihedral angle of 74.90 (4)° with that of the tri­aza­thione ring (r.m.s. deviation = 0.001 Å), while the seven-membered ring adopts a twist-chair conformation. No specific intermolecular interactions are discerned in the crystal packing.
PMCID: PMC4051002  PMID: 24940227
6.  A new polymorph of N-(2-{N′-[(1E)-2-hy­droxy­benzyl­idene]hydrazinecarbon­yl}phen­yl)benzamide 
The title compound, C21H17N3O3, is a new polymorph of an already published structure [Shashidhar et al. (2006 ▶). Acta Cryst. E62, o4473–o4475]. The previously reported structure crystallizes in the monoclinic space group C2/c, whereas the structure reported here is in the tetra­gonal space group I41/a. The bond lengths and angles are similar in both structures. The mol­ecule adopts an extended conformation via intra­molecular N—H⋯O and O—H⋯N hydrogen bonds; the terminal phenyl ring and the hy­droxy­lphenyl ring are twisted with respect to the central benzene ring by 44.43 (7) and 21.99 (8)°, respectively. In the crystal, mol­ecules are linked by N—H⋯O hydrogen bonds, weak C—H⋯O hydrogen bonds and weak C—H⋯π inter­actions into a three-dimensional supra­molecular network.
PMCID: PMC4051047  PMID: 24940232
7.  (Z)-1-[(2E)-3,4-Diphenyl-2,3-di­hydro-1,3-thia­zol-2-yl­idene]-2-[1-(4-hy­droxy­phen­yl)ethyl­idene]hydrazinium bromide including an unknown solvate 
In the title compound, C23H20N3OS+·Br−, the di­hydro­thia­zole ring (r.m.s. deviation = 0.015 Å) is twisted with respect to each of the C- and N-bound phenyl rings and the hy­droxy­benzene ring, making dihedral angles of 76.0 (2), 71.2 (2) and 9.8 (2)°, respectively. In the crystal, inversion-related mol­ecules are linked by association of the bromide ions with the cations via N—H⋯Br and O—H⋯Br hydrogen-bonding inter­actions. These mol­ecules run in channels parallel to the a axis through face-to-face π–π stacking inter­actions between the hy­droxy­benzene rings [centroid–centroid distances = 3.785 (3) Å] which, in turn, are connected into layers parallel to (110) by weak C—H⋯π inter­actions. A small region of electron density well removed from the main mol­ecule and appearing disordered over a center of symmetry was removed with PLATON SQUEEZE [Spek (2009 ▶). Acta Cryst. D65, 148–15] following unsuccessful attempts to model it as plausible solvent molecule. The nature of the solvent was not known and hence, this is not taken into account when calculating M r and related data.
PMCID: PMC4051081  PMID: 24940233
8.  N′-[(E)-2-Chloro­benzyl­idene]-2-(6-meth­oxy­naphthalen-2-yl)propano­hydrazide 
In the title compound, C21H19ClN2O2, the benzene ring and the naphthalene ring system are oriented at a dihedral angle of 65.24 (10)°. In the crystal, N—H⋯O, C—H⋯N and C—H⋯O hydrogen bonds link the mol­ecules, forming chains along the b-axis direction. Further C—H⋯O hydrogen bonds link the chains, forming corrugated sheets lying parallel to (10-1).
PMCID: PMC4051055  PMID: 24940221
9.  4-Chloro-N′-[(E)-2-chloro­benzyl­idene]benzohydrazide monohydrate 
The title compound, C14H10Cl2N2O·H2O, has a nearly planar extended conformation [C—N—N—C = −173.66 (15)°]. The dihedral angle between the aromatic rings is 4.6 (2)°. The water mol­ecules alternate with benzohydrazide mol­ecules in chains formed by O—H⋯O hydrogen bonds which run parallel to the a axis. These chains are linked to neighboring chains through N—H⋯O and C—H⋯O inter­actions, forming a layer parallel to (001).
PMCID: PMC4011300  PMID: 24860403
10.  1-{[(Z)-Cyclo­pentyl­idene]amino}-3-phenyl­thio­urea 
The sample of the title compound, C12H15N3S, chosen for study consisted of triclinic crystals twinned by a 180° rotation about the a axis. The five-membered ring adopts a twisted conformation. The dihedral angle between the phenyl ring and the mean plane of the thio­urea unit is 78.22 (8)°. In the crystal, molecules are linked via pairs of N—H⋯S hydrogen bonds forming inversion dimers.
PMCID: PMC4011296  PMID: 24860330
11.  2-((1E)-1-{2-[(2Z)-3,4-Diphenyl-2,3-di­hydro-1,3-thia­zol-2-yl­idene]hydrazin-1-yl­idene}eth­yl)pyridin-1-ium bromide monohydrate 
In the title compound, C22H19N4S+·Br−·H2O, the dihedral angles between the phenyl groups and the mean plane of the thia­zolyl­idene ring are 34.69 (13) and 64.27 (13)°, respectively, while that between the thia­zolyl­idene and pyridinium rings is 14.73 (13)°. In the crystal, zigzag chains of alternating bromide ions and water mol­ecules associate through O—H⋯Br inter­actions run in channels approximately parallel to the b axis. These chains help form parallel chains of cations through N—H⋯O, C—H⋯N and C—H⋯Br hydrogen bonds.
PMCID: PMC3998596  PMID: 24826173
12.  4-Phenyl-1,2,4-tri­aza­spiro­[4.4]non-1-ene-3-thione 
In the title compound, C12H13N3S, the 4,5-di­hydro-3H-1,2,4-triazole system is nearly planar [maximum deviation = 0.014 (2) Å], while the cyclo­pentane ring adopts a half-chair conformation. The dihedral angle between the mean plane of the 4,5-di­hydro-3H-1,2,4-triazole-3-thione ring and the phenyl ring is 85.49 (14)°, with the S atom 0.046 (1) Å out of the former plane. The crystal structure is stabilized only by van der Waals inter­actions. The investigated crystal was found to be a non-merohedral two-component twin by a 180° rotation about c*, with a refined value of the minor twin fraction of 0.12203 (18).
PMCID: PMC3998538  PMID: 24826140
13.  Methyl 2-((2Z,5Z)-4-oxo-3-phenyl-2-{2-[(1E)-1,2,3,4-tetra­hydro­naphthalen-1-yl­idene]hydrazin-1-yl­idene}-1,3-thia­zolidin-5-yl­idene)acetate 
In the title compound, C22H19N3O3S, the six-membered ring of the 1,2,3,4-tetra­hydro­naphthalene ring system adopts an envelope conformation with the central CH2 C atom as the flap. The mol­ecular conformation is stabilized by an S⋯O contact, forming a pseudo-five-membered ring. In the crystal, mol­ecules are linked via C—H⋯O hydrogen bonds into chains propagating along [102].
PMCID: PMC3998598  PMID: 24826142
14.  1-[3-(Morpholin-4-yl)prop­yl]-4-(3-nitro­phen­yl)spiro­[azetidine-3,9′-xanthen]-2-one 
The β-lactam (azetidin-2-one) ring of the title compound, C28H27N3O5, is nearly planar [maximum deviation = 0.010 (1) Å] and makes dihedral angles of 75.77 (5), 52.78 (9) and 88.72 (5)°, respectively, with the benzene ring, the least-squares plane formed by the four C atoms of the morpholine ring, which adopts a chair conformation, and the xanthene ring system. In the crystal, C—H⋯O hydrogen-bond contacts connect neighbouring mol­ecules into infinite zigzag chains running parallel to the b axis.
PMCID: PMC3998443  PMID: 24765052
15.  Methyl (2Z)-2-{(2Z)-3-[(cyclo­pentyl­idene)amino]-4-oxo-2-phenyl­imino-1,3-thia­zol­idin-5-yl­idene}acetate 
In the title compound, C17H17N3O3S, the thia­zole ring is nearly planar [maximum deviation = 0.015 (1) Å for the ring N atom] and the cyclo­pentane ring has a twist conformation. The mol­ecular conformation is stabilized by a hypervalent inter­action between the S atom and the ester group carbonyl O atom, with an S⋯O distance of 2.7931 (10) Å. In the crystal, C—H⋯O inter­actions generate chains of mol­ecules propagating along [110] and π–π stacking inter­actions [centroid–centroid distance = 3.4677 (7) Å] between the thia­zole rings organize these chains into (001) layers.
PMCID: PMC3998438  PMID: 24765050
16.  N′-[(E)-(Furan-2-yl)methyl­idene]-2-[4-(2-methyl­prop­yl)phen­yl]propano­hydrazide 
In the title mol­ecule, C18H22N2O2, the furan and benzene rings form a dihedral angle of 70.17 (14)°. In the crystal, strong N—H⋯O and weak C—H⋯O hydrogen bonds link the mol­ecules into chains running parallel to [010].
PMCID: PMC3998455  PMID: 24765043
17.  2-Cyclo­heptyl­idene-N-phenyl­hydrazine­carbo­thio­amide 
In the title compound, C14H19N3S, the seven-membered cyclo­heptane ring adopts a chair conformation. An intra­molecular N—H⋯N hydrogen bond [graph-set motif S(5)] is present in the N—N—C—N chain between the ring systems. An intra­molecular C—H⋯S contact also occurs. In the crystal, pairs of mol­ecules form centrosymmetric dimers through N—H⋯S hydrogen bonds [graph-set R 2 2(8)]. These dimers are connected by C—H⋯S inter­actions with an R 2 2(14) motif.
PMCID: PMC3998488  PMID: 24765045
18.  2-((1E)-1-{2-[(2Z)-4-(4-Bromo­phen­yl)-3-phenyl-2,3-di­hydro-1,3-thia­zol-2-yl­idene]hydrazin-1-yl­idene}eth­yl)pyridin-1-ium bromide monohydrate 
In the title hydrated molecular salt, C22H18BrN4S+·Br−·H2O, the aromatic rings make dihedral angles of 14.20 (12), 34.29 (10) and 68.75 (11)° with the thia­zole ring. In the crystal, mol­ecules are linked into chains running parallel to the a axis by association of the bromide ions and the water mol­ecules of crystallization with the cations via N—H⋯O, O—H⋯Br, C—H⋯N and C—H⋯Br hydrogen-bonding inter­actions. C—H⋯π and C—Br⋯π [3.7426 (11) Å, 161.73 (7)°] inter­actions are also observed, forming infinite chains extending along the b-axis direction.
PMCID: PMC3998394  PMID: 24765025
19.  Bis(2-amino-5-benzyl-3-eth­oxy­carbonyl-4,5,6,7-tetra­hydro­thieno[3,2-c]pyridin-5-ium) bis­(4-meth­oxy­phen­yl)di­phos­phon­ate 
The asymmetric unit of the title salt, 2C17H21N2O2S+·C14H14O7P2 2−, contains half of a centrosymmetric bis­(4-meth­oxy­phen­yl)di­phospho­nate anion and one 2-amino-5-benzyl-3-eth­oxy­carbonyl-4,5,6,7-tetra­hydro­thieno[3,2-c]pyri­din-5-ium cation. In the anion, the O atoms of the di­phospho­nate group are disordered over two positions with equal occupancies. In the cation, the ethyl group is disordered over two orientations with a refined occupancy ratio of 0.753 (5):0.247 (5), and the tetra­hydro­pyridinium ring adopts a distorted half-chair conformation. In the crystal, the ions are linked by C—H⋯O, N—H⋯O and C—H⋯S hydrogen bonds into a three-dimensional network.
PMCID: PMC3998403  PMID: 24765038
20.  (E)-N-(4-{[1-(Prop-2-en-1-yl)-1H-1,2,3-triazol-4-yl]meth­oxy}benzyl­idene)morpholin-4-amine 
The asymmetric unit of the title compound, C17H21N5O2, contains two crystallographically independent mol­ecules, which are linked by a C—H⋯N hydrogen bond. The morpholine rings of both mol­ecules adopt distorted chair conformations. The dihedral angles between the triazole and benzene rings are 12.8 (3)° in the first independent molecule in which the –N=C– group between the morpholine and benzene rings is disordered [site-occupancy ratio = 0.576 (7):0.424 (7)] and 88.1 (2)° in the second independent mol­ecule. In the crystal, mol­ecules are linked by C—H⋯N hydrogen bonds along the [100] direction. In addition, one weak C—H⋯π inter­action and two weak π–π stacking inter­actions [centroid–centroid distances = 3.840 (3) and 3.823 (2) Å] between the triazole rings of adjacent mol­ecules are observed. The atoms of the terminal propenyl groups in both mol­ecules are disordered over two sets of sites [site-occupancy ratios = 0.691 (10):0.309 (10) and 0.705 (15):0.295 (15)].
PMCID: PMC3998471  PMID: 24764998
21.  (E)-Benz­yl(4-{[1-(prop-2-en-1-yl)-1H-1,2,3-triazol-4-yl]meth­oxy}benzyl­idene)amine 
The triazole ring of the title compound, C20H20N4O, is normal to the central benzene ring, making a dihedral angle of 90.0 (3)°, and forms a dihedral angle of 69.2 (3)° with the terminal phenyl ring. The dihedral angle between the phenyl and benzene rings is 88.2 (3)°. The atoms of the terminal propenyl group are disordered over two sets of sites, with a site-occupancy ratio of 0.663 (13):0.337 (13). In the crystal, C—H⋯N contacts lead to the formation of a layer structure extending parallel to (011). Two weak C—H⋯π inter­actions are also observed.
PMCID: PMC3998458  PMID: 24764979
22.  4-Chloro-N′-[(3Z)-2-oxo-2,3-di­hydro-1H-indol-3-yl­idene]benzohydrazide 
In the title compound, C15H10ClN3O2, the benzene ring is slightly twisted out of the plane of the 2,3-di­hydro-1H-indole ring system (r.m.s. deviation = 0.007 Å), forming a dihedral angle of 7.4 (3)°. An intra­molecular N—H⋯O hydrogen bond forms a six-membered ring. In the crystal, mol­ecules are linked via N—H⋯O and C—H⋯O hydrogen bonds, forming layers alternately perpendicular to [011] and [0-11].
PMCID: PMC3914087  PMID: 24526990
23.  (2E)-2-(1,3-Benzo­thia­zol-2-yl)-3-(di­methyl­amino)­prop-2-ene­nitrile 
The mol­ecular conformation of title compound, C12H11N3S, is almost planar [maximum deviation = 0.063 (2) Å]; an intra­molecular C—H⋯N hydrogen bond is noted. In the crystal, mol­ecules inter­act with each other via π–π stacking inter­actions between thia­zole rings [centroid–centroid distance = 3.7475 (9) Å] and methyl-H⋯π(C6) inter­actions, forming columns along the a axis.
PMCID: PMC3914091  PMID: 24526995
24.  N-(2-Hy­droxy­phen­yl)-4-methyl­benzene­sulfonamide 
In the title compound, C13H13NO3S, the dihedral angle between the benzene rings is 64.15 (7)° and the C—S—N—C torsion angle is −57.18 (12)°. An intra­molecular N—H⋯O hydrogen bond closes an S(5) ring. In the crystal, O—H⋯O hydrogen bonds link the mol­ecules into C(8) chains propagating in [100]. Weak C—H⋯π inter­actions are also observed.
PMCID: PMC3914092  PMID: 24526996
25.  3,6-Di­chloro-9-(prop-2-yn-1-yl)-9H-carbazole 
The tricyclic aromatic ring system of the title compound, C15H9Cl2N, is essentially planar (r.m.s. deviation = 0.002 Å). The two Cl atoms lie slightly out of the plane of the carbazole ring system, with the C—Cl bonds forming angles of 1.23 (8) and 1.14 (8)° with the plane. The acetylene group has a syn orientation with respect to the ring system. In the crystal, no weak hydrogen bonds nor any π–π stacking inter­actions are observed.
PMCID: PMC3914073  PMID: 24526974

Results 1-25 (294)