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1.  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
2.  (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
3.  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
4.  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
5.  Ethyl 4-(4-chloro­anilino)-1-(4-chloro­phen­yl)-2-methyl-5-oxo-2,5-di­hydro-1H-pyrrole-2-carboxyl­ate 
In the title compound, C20H18Cl2N2O3, the dihedral angles between the central 2,5-di­hydro-1H-pyrrole ring and the phenyl rings are 74.87 (9) and 29.09 (9)°. Intra­molecular N—H⋯O and C—H⋯O hydrogen bonds occur. In the crystal, pairs of N—H⋯O hydrogen bonds link adjacent mol­ecules into inversion dimers and form an R 1 2(6)R 2 2(10)R 1 2(6) ring motif through C—H⋯O hydrogen bonds.
PMCID: PMC3894618  PMID: 24454212
6.  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.
PMCID: PMC3885086  PMID: 24454262
7.  2,2′-[(1,3,4-Thia­diazole-2,5-di­yl)bis­(sulfanedi­yl)]diaceto­nitrile 
In the title compound, C6H4N4S3, the 1,3,4-thia­diazole ring is essentially planar, with an r.m.s. deviation of 0.001 Å. The two N—C—S—C torsion angles in the mol­ecule are −23.41 (15) and 0.62 (14)°. One aceto­nitrile group is above the plane of the 1,3,4-thia­diazole ring and the other is below it, indicating syn and anti orientations. In the crystal, C—H⋯N hydrogen bonds link the molecules into ribbons along [010].
PMCID: PMC3885093  PMID: 24454269
8.  2-(3,4-Di­meth­oxy­phen­yl)-1-pentyl-4,5-diphenyl-1H-imidazole 
The central imidazole ring in the title compound, C28H30N2O2, makes dihedral angles of 28.42 (13), 71.22 (15) and 29.50 (14)°, respectively, with the phenyl rings in the 4- and 5-positions and the 3,4-di­meth­oxy­phenyl group. In the crystal, mol­ecules are linked by C—H⋯O and C—H⋯N hydrogen bonds, weak π–π stacking inter­actions [centroid–centroid distance = 3.760 (2) Å] and C—H⋯π contacts, forming a three-dimensional network.
PMCID: PMC3885079  PMID: 24454255
9.  Ethyl 4-anilino-2-methyl-5-oxo-1-phenyl-2,5-di­hydro-1H-pyrrole-2-carboxyl­ate 
In the title compound, C20H20N2O3, the central 2,5-di­hydro-1H-pyrrole ring [r.m.s. deviation = 0.014 (1) Å] is oriented at dihedral angles of 77.81 (6) and 25.33 (6)°, respectively, to the attached phenyl ring and the aniline phenyl ring. An intra­molecular N—H⋯O hydrogen bond occurs. In the crystal, mol­ecules are linked through pairs of N—H⋯O hydrogen bonds, forming inversion dimers with an R 2 2(10) ring motif. Two weak C—H⋯π inter­actions are also observed.
PMCID: PMC3885035  PMID: 24454210
10.  N′-[(E)-4-Meth­oxy­benzyl­idene]-2-(5-meth­oxy-2-methyl-1H-indol-3-yl)acetohydrazide 
The conformation adopted by the title compound, C20H21N3O3, in the crystal is ‘J’-shaped and appears to be at least partially directed by a weak intra­molecular C—H⋯N hydrogen bond. In the crystal, mol­ecules are linked by N—H⋯O hydrogen bonds, forming dimers with R 2 2(8) motifs. Furthermore, these dimers connect to each other via C—H⋯O and N—H⋯O hydrogen bonds to form a three-dimensional network.
PMCID: PMC3884321  PMID: 24454097
11.  N′-[(E)-Benzyl­idene]-2-(6-meth­oxy­naphthalen-2-yl)propano­hydrazide 
The title mol­ecule, C21H20N2O2, exists in the solid state in the ‘extended’ form. The crystal packing consists of ribbons of mol­ecules extending parallel to c and associated via N—H⋯O and weak C—H⋯O hydrogen bonds. C—H⋯π inter­actions are also present.
PMCID: PMC3884289  PMID: 24454065
12.  2-[(E)-(Morpholin-4-yl­imino)­meth­yl]-6-(morpholin-4-ylmeth­yl)phenol 
The title compound, C16H23N3O3, contains two morpholine rings, each of which adopts a chair conformation. The mol­ecular conformation is stabilized by an intra­molecular O—H⋯N hydrogen bond, leading to a S(6) ring. In the crystal, mol­ecules are linked into zigzag chains along the c-axis direction by C—H⋯O and C—H⋯π inter­actions.
PMCID: PMC3790431  PMID: 24098250
13.  (E)-N-(1,3-Benzodioxol-5-yl)-1-(4-{[1-(prop-2-en-1-yl)-1H-1,2,3-triazol-4-yl]meth­oxy}phen­yl)methanimine 
In the title compound, C20H18N4O3, the dihedral angles between the central benzene ring and the 1H-1,2,3-triazole ring and the fused benzene ring are 65.34 (19) and 3.64 (18)°, respectively. The dioxole ring adopts a shallow envelope conformation, with the methyl­ene C atom displaced by 0.156 (5) Å from the other four atoms (r.m.s. deviation = 0.007Å). In the crystal, the mol­ecules are linked by C—H⋯O and C—H⋯N hydrogen bonds, generating a three-dimensional network.
PMCID: PMC3790434  PMID: 24098253
14.  Amino­[(1H-benzimidazol-2-yl)amino]­methaniminium 4-methyl­benzene­sulfonate 
The asymmetric unit of the title salt, C8H10N5 +·C7H7O3S−, consists of two amino­[(1H-benzimidazol-2-yl)amino]­meth­an­im­inium cations and two 4-methyl­benzene­sulfonate anions. The cations are each stabilized by intra­molecular N—H⋯N hydrogen bonds between the free amino groups and the imine N atoms of the benzimidazole units, forming S(6) ring motifs. In the crystal, cations and anions are linked by N—H⋯O and C—H⋯O hydrogen bonds, forming a three-dimensional supra­molecular framework. Two strong π–π stacking inter­actions [centroid–centroid distances = 3.4112 (14) and 3.4104 (14) Å] also occur between the centroids of the imidazole rings of like cations.
PMCID: PMC3790410  PMID: 24098229
15.  Methyl 2-((2Z,5Z)-2-{(E)-2-[1-(4-hy­droxy­phen­yl)ethyl­idene]hydrazin-1-yl­idene}-4-oxo-3-phenyl-1,3-thia­zolidin-5-yl­idene)acetate 
In the title compound, C20H17N3O4S, all non-H atoms, except those of the phenyl ring, are approximately coplanar [maximum deviation = 0.2214 (1) Å], and the dihedral angle between their best plane and the benzene ring is 53.13 (1)°. A short intra­molecular O⋯S contact of 2.838 (1) Å is formed between the ester carbonyl O atom and the S atom of the thia­zolidine ring. In the crystal, mol­ecules associated via O—H⋯O, C—H⋯O and C—H⋯S hydrogen bonds form layers parallel to (010), with only C—H⋯O-type short contacts between the mol­ecules in adjacent layers.
PMCID: PMC3790417  PMID: 24098236
16.  12-(2-Hy­droxy-6-oxo­cyclo­hex-1-en­yl)-9,10-di­hydro-8H-benzo[a]xanthen-11(12H)-one 
In the xanthenone system of the title compound, C23H20O4, the pyran ring has a maximum deviation of 0.111 (1) Å from planarity and the outer cyclo­hexene ring exhibits a puckered conformation. The three methyl­ene C atoms of the cyclo­hexene ring bonded to the pyran unit are disordered over two sets of sites [occupancies = 0.570 (3) and 0.430 (3)]. In the crystal, mol­ecules are linked by C—H⋯O and O—H⋯O hydrogen bonds, forming a two-dimensional network parallel to (110). A C—H⋯π inter­action occurs between these networks.
PMCID: PMC3790420  PMID: 24098239
17.  (2E)-4-(4-Bromo­phen­yl)-2-{(2Z)-[1-(4-methyl­phen­yl)ethyl­idene]hydrazinyl­idene}-3-phenyl-2,3-di­hydro-1,3-thia­zole 
In the title compound, C24H20BrN3S, the di­hydro­thia­zole ring is approximately planar, with a maximum deviation of 0.008 (2) Å, and is twisted with respect to the 4-bromo­phenyl ring, the phenyl ring and methyl­phenyl ring, making dihedral angles of 47.96 (8), 59.52 (9) and 16.96 (9)°, respectively. In the crystal, weak C—H⋯π inter­actions link inversion-related mol­ecules into supra­molecular dimers.
PMCID: PMC3790424  PMID: 24098243
18.  2-(5-Meth­oxy-2-methyl-1H-indol-3-yl)-N′-[(1E,2E)-3-phenyl­prop-2-en-1-yl­idene]acetohydrazide 
The title compound, C21H21N3O2, adopts a J-shaped conformation which appears to be at least partially directed by a weak intra­molecular C—H⋯N hydrogen bond. In the crystal, mol­ecules are linked by N—H⋯O hydrogen bonds into R 2 2(8) and R 2 2(14) cyclic dimers, which form a chain running parallel to the b axis.
PMCID: PMC3884474  PMID: 24427110
19.  2-(4-Bromo­phen­yl)-1-pentyl-4,5-diphenyl-1H-imidazole 
The title compound, C26H25BrN2, is isomorphous with the chloro derivative [2-(4-chloro­phen­yl)-1-pentyl-4,5-diphenyl-1H-imidazole; Mohamed et al. (2013 ▶). Acta Cryst. E69, o846–o847]. The two phenyl rings and the 4-bromo­phenyl ring are oriented at dihedral angles of 30.1 (2), 64.3 (3) and 42.0 (2)°, respectively, with respect to the imidazole ring. In the crystal, mol­ecules stack in columns along the b-axis direction, however, there are no significant inter­molecular inter­actions present.
PMCID: PMC3884403  PMID: 24427052
20.  (4E)-4-[(2-Hy­droxy­anilino)methyl­idene]-1-phenyl­pyrazolidine-3,5-dione dimethyl sulfoxide hemisolvate 
The asymmetric unit of the title compound, C16H13N3O3·0.5C2H6OS, is composed of two independent pyrazolidine-3,5-dione mol­ecules and one dimethyl sulfoxide solvent mol­ecule. In each pyrazolidine-3,5-dione mol­ecule, an intra­molecular N—H⋯O hydrogen bond forms an S(5)S(6) motif. In the crystal, pairs of each independent pyrazolidine-3,5-dione mol­ecule are linked by N—H⋯O hydrogen bonds, forming dimers with R 2 2(8) motifs. These dimers are connected with the other mol­ecules through the solvent mol­ecules via O—H⋯O hydrogen bonds, forming ribbons along the b-axis direction. C—H⋯π inter­actions connect the ribbons. C—H⋯O interactions also occur.
PMCID: PMC3884425  PMID: 24427046
21.  Methyl (2Z)-((2Z)-2-{(2E)-[1-(4-methyl­phen­yl)ethyl­idene]hydrazinyl­idene}-4-oxo-3-phenyl-1,3-thia­zolidin-5-yl­idene)ethano­ate 
The asymmetric unit of the title compound, C21H19N3O3S, contains two independent mol­ecules. In one mol­ecule, the 1,3-thia­zolidine ring forms dihedral angles of 86.19 (8) and 8.37 (8)° with the phenyl and benzene rings, respectively. The corresponding dihedral angles in the other mol­ecule are 69.60 (7) and 14.08 (7)°. The dihedral angle between the phenyl and benzene rings is 84.70 (8)° in one mol­ecule and 69.62 (8)° in the other. In the crystal, mol­ecules pack in layers approximately parallel to (10-2). There are weak C—H⋯O hydrogen bonds within these layers. Further weak C—H⋯O hydrogen bonding occurs between the layers to form a three-dimensional network. A weak C—H⋯π inter­action is also observed.
PMCID: PMC3884445  PMID: 24427040
22.  2-(3,5-Dioxo-4-aza­tri­cyclo­[,6]dec-8-en-4-yl)acetic acid 
The asymmetric unit of the title compound, C11H11NO4, contains two mol­ecules, A and B, with different conformations: in mol­ecule A, the norborne and carb­oxy­lic acid groups lie to the same side of the heterocycle, whereas in a mol­ecule B, they lie on opposite sides. In the crystal, the A mol­ecules form R 2 2(8) carb­oxy­lic acid inversion dimers, linked by pairs of O—H⋯O hydrogen bonds. The B mol­ecules link to one of the ketone O atoms of the A mol­ecule by an O—H⋯O inter­action, resulting in tetra­mers (two A and two B mol­ecules). The tetra­mers are linked by weak C—H⋯O inter­actions, generating a three-dimensional network.
PMCID: PMC3884503  PMID: 24427042
23.  (1Z,2E)-1-(3,4-Diphenyl-2,3-di­hydro-1,3-thia­zol-2-yl­idene)-2-(1-p-tolyl­ethyl­idene)hydrazine 
In the title compound, C24H21N3S, the thia­zole ring makes dihedral angles of 52.03 (6), 62.63 (6) and 12.35 (6)°, respectively, with the two phenyl rings and the benzene ring. In the crystal, weak C—H⋯π inter­actions occur between inversion-related mol­ecules.
PMCID: PMC3793809  PMID: 24109396
24.  1,3-Bis[(5-amino­furan-2-yl)meth­yl]-3,4,5,6-tetra­hydro­pyrimidin-1-ium hexa­fluoro­phosphate 
The asymmetric unit of the title salt, C16H21N2O2 +·PF6 −, contains half of the whole ion pair, which has crystallographic mirror symmetry. Two F atoms related by the mirror plane are disordered over two sites of equal occupancy. The dihedral angle between the central ring and the furan ring is 59.3 ()°. In the crystal, the anions and cations are linked through C—H⋯F inter­actions, forming a three-dimensional network.
PMCID: PMC3793810  PMID: 24109397
25.  N′-(4-Ethyl­cyclo­hexyl­idene)-5-fluoro-3-phenyl-1H-indole-2-carbohydrazide 
The title compound, C23H24FN3O, crystallizes with two independent mol­ecules (I and II) in the asymmetric unit. These pairs of mol­ecules are linked to each other as N—H⋯O dimers with an R 2 2(10) motif. Furthermore, the crystal structure also exhibits C—H⋯π inter­actions. The atoms of the ethyl group in mol­ecule I are disordered over two sites with an occupancy ratio of 0.817 (6):0.183 (6).
PMCID: PMC3793815  PMID: 24109402

Results 1-25 (273)