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1.  (Z)-N-Ethyl-2-(5-fluoro-2-oxoindolin-3-yl­idene)hydrazinecarbothio­amide 
In the title compound, C11H11FN4OS, an intra­molecular N—H⋯O hydrogen bond generates an S(6) ring. In the crystal, mol­ecules form chains through N—H⋯O hydrogen bonds, which are extended by N—H⋯S hydrogen bonds into an infinite three-dimensional network.
doi:10.1107/S1600536812036471
PMCID: PMC3470224  PMID: 23125668
2.  (E)-N-Ethyl-2-[(E)-3-(hy­droxy­imino)­butan-2-yl­idene]hydrazinecarbothio­amide 
In the crystal structure of the title compound, C7H14N4OS, mol­ecules are linked through N—H⋯S and O—H⋯N hydrogen bonds and C—H⋯S interactions, forming chains propagating along [21-1].
doi:10.1107/S1600536812028632
PMCID: PMC3414996  PMID: 22904983
3.  Bis[2-(2-oxoindolin-3-yl­idene)-N-phenylhydrazinecarbothio­amidato-κ3 O,N 2,S]nickel(II) dimethyl­formamide monosolvate 
The asymmetric unit of the title compound, [Ni(C15H11N4OS)2]·C3H7NO, contains one NiII complex mol­ecule and one disordered dimethyl­formamide solvent mol­ecule. The NiII ion is six-coordinated in a distorted octa­hedral geometry by two N, two O and two S atoms. An intra­molecular C—H⋯S hydrogen bond generates an S(6) ring motif. In the crystal, mol­ecules are linked through inter­molecular N—H⋯S, N—H⋯O, C—H⋯N, C—H⋯O and C—H⋯S hydrogen bonds into infinite two-dimensional network parallel to the ab plane. The structure is further stablized by weak C—H⋯π inter­actions. The dimethylformamide solvent molecule is disordered over two sets of sites in a 0.514 (15):0.486 (15) ratio.
doi:10.1107/S1600536812012834
PMCID: PMC3344298  PMID: 22590064
4.  (Z)-2-(2-Oxoindolin-3-yl­idene)-N-phenylhydrazinecarbothio­amide 
In the title compound, C15H12N4OS, the dihedral angle between the nine-membered indolin-2-one ring system and the phenyl ring is 2.72 (7)°. Intra­molecular cyclic N—H⋯O and C—H⋯S hydrogen-bonding inter­actions [graph set S(6)] are present, as are weak N—H⋯N inter­actions [graph set S(5)]. In the crystal, mol­ecules form centrosymmetric cyclic dimers through pairs of N—H⋯O hydrogen bonds [graph set R 2 2(8)] and these are extended by C—H⋯S inter­actions. The crystal structure also features weak C—H⋯π inter­actions.
doi:10.1107/S160053681200400X
PMCID: PMC3343940  PMID: 22590021
5.  (Z)-2-(5-Chloro-2-oxoindolin-3-yl­idene)-N-methyl­hydrazinecarbothio­amide 
In the title compound, C10H9ClN4OS, an intra­molecular N—H⋯O hydrogen-bonding inter­action and an N—H⋯N inter­action generate ring motifs [graph sets S(6) and S(5), respectively]. In the crystal, mol­ecules form a chain through N—H⋯O hydrogen bonds, and these are extended by N—H⋯S hydrogen-bonding inter­actions into an infinite three-dimensional network. The crystal structure also exhibits weak C—H⋯π inter­actions.
doi:10.1107/S1600536812007386
PMCID: PMC3354764  PMID: 22606200
6.  (Z)-N-Methyl-2-(5-nitro-2-oxoindolin-3-yl­idene)hydrazinecarbothio­amide 
In the title compound, C10H9N5O3S, an intra­molecular N—H⋯O hydrogen bond generates an S(6) ring motif. In the crystal, mol­ecules are linked via N—H⋯S hydrogen bonds into a zigzag chain along the b axis. C—H⋯O inter­actions are observed between the chains.
doi:10.1107/S1600536812001183
PMCID: PMC3343934  PMID: 22590015
7.  (Z)-N-Methyl-2-(5-methyl-2-oxoindolin-3-yl­idene)hydrazinecarbothio­amide 
In the title compound, C11H12N4OS, an intra­molecular N—H⋯O hydrogen bond generates an S(6) ring motif. In the crystal, the mol­ecules form a helical chain along the a axis through an N—H⋯O hydrogen bond. These chains are extended by an N—H⋯S hydrogen bond and a C—H⋯π inter­action into a three-dimensional network.
doi:10.1107/S1600536812005417
PMCID: PMC3343935  PMID: 22590016
8.  Bis{N-ethyl-2-[3-(hy­droxy­imino-κN)butan-2-yl­idene]hydrazinecarbothio­amide-κ2 N 2,S}nickel(II) dichloride 
In the title complex, [Ni(C7H14N4OS)2]Cl2, the NiII ion is six-coordinated in a distorted octa­hedral geometry by four N atoms from the two imine and two oxime groups, and two S atoms from the thione groups. Two chloride ions complete the asymmetric unit. In the crystal, mol­ecules are linked through N—H⋯Cl and O—H⋯Cl hydrogen bonds into an infinite chain propagating along [101].
doi:10.1107/S1600536811055383
PMCID: PMC3274909  PMID: 22346856
9.  2-Amino-3-nitro­benzoic acid 
The title compound, C7H6N2O4, is approximately planar (r.m.s. deviation = 0.026 Å for the 13 non-H atoms). The mol­ecular structure is stabilized by intra­molecular N—H⋯O hydrogen bonds, which generate S(6) ring motifs. In the crystal, mol­ecules are linked via inter­molecular N—H⋯O, O—H⋯O and C—H⋯O hydrogen bonds into a three-dimensional network.
doi:10.1107/S1600536812002036
PMCID: PMC3275235  PMID: 22347091
10.  Bis{2-[3-(hy­droxy­imino-κN)butan-2-yl­idene]-N-methyl­hydrazinecarbothio­amide-κ2 N 2,S}nickel(II) dichloride 
The asymmetric unit of the title compound, [Ni(C6H12N4OS)2]Cl2, contains two independent NiII complex cations and four chloride anions. Each NiII ion is six-coordinated in a distorted octa­hedral geometry by four N atoms from the two imine and two oxime groups and two S atoms from the thione group. In the crystal, the cations and anions are linked through N—H⋯Cl and O—H⋯Cl hydrogen bonds into infinite chains propagating along [10]. Weak inter­molecular C—H⋯O and C—H⋯Cl hydrogen bonds are also observed.
doi:10.1107/S1600536811055395
PMCID: PMC3274853  PMID: 22346800
11.  (Z)-2-(5-Fluoro-2-oxoindolin-3-yl­idene)-N-phenyl­hydrazinecarbothio­amide 
The title compound, C15H11FN4OS, crystallizes with three independent mol­ecules (A, B and C) in the asymmetric unit. The dihedral angles between the nine-membered 5-fluoro­indolin-2-one ring system and the benzene ring are 22.14 (11), 12.56 (11) and 3.70 (11)° in mol­ecules A, B and C, respectively. In all three mol­ecules, intra­molecular cyclic N—H⋯O and C—H⋯S hydrogen-bonding inter­actions [graph set S(6)] are present in the N—N—C—N chain between the ring systems. In the crystal, the A mol­ecules form centrosymmetric cyclic dimers through inter­molecular N—H⋯O hydrogen bonds, which are linked into a supramolecular chain along [100] via C—H⋯F interactions; each type of hydrogen bond has graph set graph set R 2 2(8). A similar chain stabilised by similar interactions and also along [100] but, comprising alternating molecules of B and C is found. The latter chains are connected via C—H⋯S interactions, forming a layer with a zigzag topology parallel to (001).
doi:10.1107/S160053681105433X
PMCID: PMC3274981  PMID: 22346926
12.  (E)-2-[(E)-3-(Hy­droxy­imino)­butan-2-yl­idene]-N-methyl­hydrazinecarbothio­amide 
In the title compound, C6H12N4OS, an intra­molecular N—H⋯N hydrogen-bond is present giving rise to an S(5) ring motif. In the crystal, double-stranded chains propagating along [10] are formed via pairs of O—H⋯S and N—H⋯S hydrogen bonds. The chains are further stabilized by C—H⋯S interactions.
doi:10.1107/S1600536811053621
PMCID: PMC3254522  PMID: 22259468
13.  (Z)-2-(5-Methyl-2-oxoindolin-3-yl­idene)-N-phenyl­hydrazinecarbothio­amide 
In the title compound, C16H14N4OS, the dihedral angle between the nine-membered 5-methyl­indolin-2-one ring system and the benzene ring is 10.21 (7)°. Intra­molecular cyclic N—H⋯O and C—H⋯S hydrogen-bonding inter­actions [graph set S(6)] are present within the N—N—C—N chain between the ring systems. In the crystal, mol­ecules form centrosymmetric cyclic dimers through pairs of N—H⋯O hydrogen bonds [graph set R 2 2(8)].
doi:10.1107/S1600536811049154
PMCID: PMC3239102  PMID: 22199950
14.  (Z)-2-(5-Chloro-2-oxoindolin-3-yl­idene)-N-phenyl­hydrazinecarbothio­amide 
In the title compound, C15H11ClN4OS, the dihedral angle between the nine-membered 5-chloro­indolin-2-one ring system and the benzene ring is 10.00 (6)°. Intra­molecular cyclic N—H⋯O and C—H⋯S hydrogen-bonding inter­actions [graph set S(6)] are present in the N—N—C—N chain between the ring systems. In the crystal, mol­ecules form centrosymmetric cyclic dimers through inter­molecular N—H⋯O hydrogen bonds [graph-set R 2 2(8)] and are extended by C—H⋯Cl inter­actions into infinite chains which propagate along [100].
doi:10.1107/S1600536811044199
PMCID: PMC3238816  PMID: 22199669
15.  2-(5,6-Dihydro­benzimidazo[1,2-c]quinazolin-6-yl)-6-eth­oxy­phenol 
In the title compound, C22H19N3O2, the phenol ring forms dihedral angles of 88.93 (10) and 87.95 (12)° with the benzimidazole system and the quinazoline benzene ring, respectively. In the crystal, mol­ecules are linked via O—H⋯N hydrogen bonds into infinite chains along [100]. An intra­molecular N—H⋯O hydrogen bond generates an S(6) ring.
doi:10.1107/S1600536811034714
PMCID: PMC3200659  PMID: 22059057
16.  2-(5,6-Dihydro­benzimidazo[1,2-c]quinazolin-6-yl)-5-methyl­phenol 
In the title compound, C21H17N3O, the imidazole ring is essentially planar, with a maximum deviation of 0.009 (1) Å. The mol­ecule is disordered over two sites corresponding to a rotation of approximately 180° with a refined occupancy ratio of 0.9180 (14):0.0820 (14). The central pyrim­idine ring makes dihedral angles of 5.02 (5), 3.97 (5) and 6.28 (5)°, respectively, with the planes of the imidazole and the terminal phenyl rings for the major component; the values for the minor component are 5.8 (7), 5.0 (6) and 8.5 (6)°, respectively. Part of the observed planarity is accounted for in terms of an intra­molecular N—H⋯O hydrogen bond. In the crystal, mol­ecules of the major component are connected by O—H⋯N hydrogen bonds, forming supra­molecular chains along the c axis.
doi:10.1107/S1600536811032673
PMCID: PMC3200579  PMID: 22058979
17.  (E)-2-{[1-Carb­oxy-2-(1H-indol-3-yl)ethyl­iminio]meth­yl}-6-hy­droxy­phenolate 
In the zwitterionic title compound, C18H16N2O4, the dihedral angle between the planes of the benzene and indole rings is 26.38 (10)°. An intra­molecular N—H⋯O hydrogen bond generates an S(6) ring motif. In the crystal, mol­ecules are linked through N—H⋯O, O—H⋯O and C—H⋯O hydrogen bonds into infinite chains propagating in [010].
doi:10.1107/S1600536811031709
PMCID: PMC3200592  PMID: 22058986
18.  (4-Chloro-3-nitro­benzoato)triphenyl­tin(IV) 
In the title compound, [Sn(C6H5)3(C7H3ClNO4)], the four-coordinate SnIV atom exists in a distorted tetra­hedral geometry, formed by a monodentate carboxyl­ate group and three phenyl rings. The conformation is stabilized by an intra­molecular C—H⋯O hydrogen bond, which generates an S(5) ring. The aromatic ring of the 4-chloro-3-nitro­benzoate ligand makes dihedral angles of 75.64 (12), 64.37 (12) and 2.97 (12)° with the three phenyl ligands. The O atoms of the nitro group are disordered over two sets of sites in a 0.817 (5):0.183 (5) ratio. In the crystal, mol­ecules are linked via inter­molecular C—H⋯O hydrogen bonds into chains running parallel to [010].
doi:10.1107/S160053681103282X
PMCID: PMC3200665  PMID: 22065496
19.  2-(5,6-Dihydro­benzimidazo[1,2-c]quinazolin-6-yl)-5-meth­oxy­phenol 
In the title quinazoline derivative, C21H17N3O2, the benzimidazole unit makes dihedral angles of 8.29 (5) and 81.79 (5)° with the benzene rings of the quinazoline and meth­oxy­phenol units, respectively. The nitro­gen-containing six-membered ring adopts a half-chair conformation. In the crystal, the mol­ecules are linked through O—H⋯N hydrogen bonds into screw chains along the b axis; adjacent chains are further connected by N—H⋯O hydrogen bonds, thereby forming a two-dimensional network lying parallel to the bc plane. Weak C—H⋯π and π⋯π inter­actions with centroid–centroid distances of 3.5258 (8) and 3.7184 (7) Å are present and N⋯O [2.6816 (15) and 3.0519 (15) Å] short contacts also occur.
doi:10.1107/S1600536811034027
PMCID: PMC3200720  PMID: 22058999
20.  catena-Poly[[triphenyl­tin(IV)]-μ-5-amino-2-nitro­benzoato-κ2 O 1:O 1′] 
The title compound, [Sn(C6H5)3(C7H5N2O4)]n, forms polymeric chains along [010]. The SnIV ion is five-coordinated in a distorted trigonal–bipyramidal geometry by two monodentate carboxyl­ate groups and three phenyl rings. The axial sites are occupied by the O atoms of two symmetry-related carboxyl­ate groups [O—Sn—O = 170.88 (3)°]. The benzene ring of the 5-amino-2-nitro­benzoate ligand forms dihedral angles of 82.92 (6), 81.10 (6) and 83.54 (6)° with respect to the three phenyl rings. In the crystal, the chains are linked by inter­molecular N—H⋯O and weak C—H⋯O inter­actions into a three-dimensional network. The crystal structure is further stabilized by weak inter­molecular C—H⋯π inter­actions.
doi:10.1107/S1600536811033332
PMCID: PMC3200871  PMID: 22064934
21.  2-(5,6-Dihydro­benzimidazo[1,2-c]quinazolin-6-yl)phenol 
The asymmetric unit of the title compound, C20H15N3O, contains two independent mol­ecules, each of which is disordered over two sets of sites corresponding to a rotation of approximately 180° of the dihydro­benzimidazoquinazoline moiety, with refined site occupancies of 0.7479 (13) and 0.2521 (12) for both mol­ecules. The pyrimidine rings are in sofa conformations. In one mol­ecule, the hy­droxy-substituted benzene ring forms dihedral angles of 83.9 (3) and 82.4 (4)° for the major and minor components, respectively, with the mean plane of the benzimidazole ring system. The corres­ponding dihedral angles in the other mol­ecule are 88.31 (14) and 85.8 (6)°. In the crystal, mol­ecules are linked via inter­molecular O—H⋯N and N—H.·O hydrogen bonds into chains along [100].
doi:10.1107/S1600536811030583
PMCID: PMC3200611  PMID: 22058910
22.  (2-{[2-(1H-Benzimidazol-2-yl-κN 3)phen­yl]imino­methyl-κN}-5-methyl­phenolato-κO)chloridozinc(II) 
In the title mononuclear complex, [Zn(C21H16N3O)Cl], the ZnII ion is coordinated in a distorted tetra­hedral geometry by two benzimidazole N atoms and one phenolate O atom from the tridentate Schiff base ligand and a chloride ligand. The benzimidazole ring system forms dihedral angles of 26.68 (9) and 56.16 (9)° with the adjacent benzene ring and the methyl­phenolate group benzene ring, respectively. In the crystal, mol­ecules are linked by N—H⋯Cl hydrogen bonds into chains along [100]. Furthermore, weak C—H⋯O and C—H⋯π inter­actions, in addition to π–π inter­actions with centroid–centroid distances in the range 3.5826 (13)–3.9681 (13) Å, are also observed.
doi:10.1107/S1600536811030170
PMCID: PMC3200787  PMID: 22065469
23.  Bis(μ2-2-amino-5-nitro­benzoato)bis­(2-amino-5-nitro­benzoato)octa­butyldi-μ3-oxido-tetra­tin(IV) 
In the title complex, [Sn4(C4H9)8(C7H5N2O4)4O2], all four SnIV atoms are five-coordinated with distorted trigonal–bipyramidal SnC2O3 geometries. Two SnIV atoms are coordin­ated by two butyl groups, one benzoate O atom and two bridging O atoms, whereas the other two SnIV atoms are coordinated by two butyl groups, two benzoate O atoms and a bridging O atom. All the butyl groups are equatorial with respect to the SnO3 trigonal plane. In the crystal, mol­ecules are linked into a two-dimensional layer parallel to the ab plane by inter­molecular N—H⋯O and C—H⋯O hydrogen bonds and further stabilized by a π–π inter­action [centroid–centroid distance = 3.6489 (11) Å]. Intra­molecular N—H⋯O and C—H⋯O hydrogen bonds stabilize the mol­ecular structure. Two of the butyl groups are each disordered over two sets of sites with site-occupancy ratios of 0.510 (4):0.490 (4) and 0.860 (5):0.140 (5).
doi:10.1107/S1600536811028212
PMCID: PMC3212181  PMID: 22090883
24.  (E)-2-[(2,4-Dihy­droxy­benzyl­idene)aza­nium­yl]-3-(1H-indol-3-yl)propano­ate monohydrate 
In the zwitterionic title compound, C18H16N2O4·H2O, the dihedral angle between the planes of the benzene and indole rings is 39.20 (8)°. An intra­molecular N—H⋯O hydrogen bond generates an S(6) ring motif. In the crystal, inter­molecular hy­droxy and water O—H⋯O(carboxyl­ate) and N+—H⋯O(carboxyl­ate) and indole N—H⋯O(water) hydrogen bonds give a three-dimensional structure.
doi:10.1107/S1600536811028200
PMCID: PMC3213555  PMID: 22091132
25.  [2-(1H-Benzimidazol-2-yl-κN 3)aniline-κN]dichloridozinc 
In the title benzimidazole mononuclear complex, [ZnCl2(C13H11N3)], the ZnII ion is four-coordinated in a distorted tetra­hedral geometry by an imidazole N, an amino N and two Cl atoms. The dihedral angle between the benzimidazole and benzene rings is 9.57 (1)°. In the crystal, mol­ecules are linked by weak N—H⋯Cl hydrogen bonds into layers parallel to the bc plane. π–π inter­actions with centroid–centroid distances in the range 3.4452 (8)–3.8074 (8) Å are also observed.
doi:10.1107/S1600536811026572
PMCID: PMC3212144  PMID: 22090846

Results 1-25 (72)