PMCC PMCC

Search tips
Search criteria

Advanced
Results 1-25 (41)
 

Clipboard (0)
None

Select a Filter Below

Journals
Authors
more »
Year of Publication
Document Types
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.  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
10.  (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
11.  (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
12.  (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
13.  (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
14.  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
15.  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
16.  (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
17.  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
18.  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
19.  (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
20.  (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
21.  [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
22.  4-(5,6-Dihydro­benzimidazo[1,2-c]quinazolin-6-yl)benzene-1,3-diol dimethyl sulfoxide monosolvate 
In the title solvated benzimidazole compound, C20H15N3O2·C2H6OS, both the benzimidazole fused-ring system and the complete dimethyl sulfoxide solvent mol­ecule are disordered over two sets of sites, in 0.750 (5):0.250 (5) and 0.882 (4):0.118 (4) ratios, respectively. The conformation of the pyrimidine ring is close to a half-chair for the major disorder component, whereas for the minor component it is close to a boat. The dihy­droxy­phenyl ring is almost perpendicular to the mean plane of the benzimidazole ring [dihedral angle = 87.3 (2)° for the major disorder component and 88.3 (5)° for the minor disorder component]. In the crystal, mol­ecules are linked into layers parallel to (110) by O—H⋯N and C—H⋯O hydrogen bonds. A bifurcated O—H⋯(O,S) bond links the benzimidazole and solvent mol­ecules.
doi:10.1107/S160053681102304X
PMCID: PMC3152048  PMID: 21837112
23.  (E)-4-Hy­droxy-2-[(2-hy­droxy­phen­yl)iminiometh­yl]phenolate 
The title compound, C13H11NO3, crystallizes in a zwitterionic form and has a trans configuration about the C=N bond. The mol­ecule is almost planar, the dihedral angle between the two benzene rings being 4.32 (8)°. The two hy­droxy substit­uents are coplanar with each of their attached benzene rings [r.m.s. deviations of 0.0053 (2) and 0.0052 (2) Å]. An intra­molecular N—H⋯O hydrogen bond formed between the iminium N and the phenolate O atom generates an S(6) ring motif. In the crystal, the mol­ecules are linked through O—H⋯O hydrogen bonds into chains along [110]. Two neighbouring chains are further connected through O—H⋯O hydrogen bonds in an anti­parallel manner. π–π inter­actions are also observed, with centroid–centroid distances of 3.7115 (19) and 3.743 (2) Å.
doi:10.1107/S1600536810020295
PMCID: PMC3006709  PMID: 21587785
24.  (E)-4-Bromo-2-[(2-hydroxy­phen­yl)iminiometh­yl]phenolate 
The title compound, C13H10BrNO2, crystallizes in a zwitterionic form. The zwitterion exists in a trans configuration about the C=N bond and is almost planar, the dihedral angle between the two benzene rings being 2.29 (9)°. An intra­molecular N—H⋯O hydrogen bond formed between the iminium NH+ and the phenolate O− atoms generates an S(6) ring motif. In the crystal, the zwitterions are linked through O—H⋯O hydrogen bonds into chains along [101] and these chains are further connected through C—H⋯Br inter­actions into a two-dimensional network perpendicular to (101). C⋯C [3.572 (3)–3.592 (3) Å] and C⋯Br [3.5633 (19)–3.7339 (18) Å] short contacts are observed. The crystal studied was a twin with twin law 00, 00, 001 with a domain ratio of 0.09919 (2):0.90081 (2).
doi:10.1107/S1600536810015230
PMCID: PMC2979394  PMID: 21579365
25.  (E)-4-Chloro-2-[(2-hydroxy­phenyl)­iminometh­yl]phenol 
The title compound, C13H10ClNO2, exists in a trans configuration about the central C=N bond. The two benzene rings are almost coplanar, making a dihedral angle of 2.48 (10)°. An intra­molecular O—H⋯N hydrogen bond generates an S(6) ring motif. In the crystal structure, O—H⋯O hydrogen bonds link the mol­ecules into chains along [101]. Short C⋯Cl contacts [3.584 (2)–3.646 (2) Å] are observed. A short intramolecular C—H⋯O contact occurs.
doi:10.1107/S160053681001233X
PMCID: PMC2979173  PMID: 21579121

Results 1-25 (41)