PMCC PMCC

Search tips
Search criteria

Advanced
Results 1-25 (145281)

Clipboard (0)
None

Related Articles

1.  4-{2-[2-(4-Chloro­benzyl­idene)hydrazinyl­idene]-3,6-dihydro-2H-1,3,4-thia­diazin-5-yl}-3-(4-meth­oxy­phen­yl)sydnone 
The title compound, C19H15ClN6O3S, exists in trans and cis configurations with respect to the acyclic C=N bonds. The 3,6-dihydro-2H-1,3,4-thia­diazine ring adopts a half-boat conformation. The sydnone ring is approximately planar [maximum deviation = 0.013 (1) Å] and forms dihedral angles of 34.76 (4) and 48.67 (4)° with the benzene rings. An intra­molecular C—H⋯O hydrogen bond stabilizes the mol­ecular structure and forms an S(6) ring motif. In the crystal packing, inter­molecular N—H⋯N hydrogen bonds link centrosymmetrically related mol­ecules into dimers, generating R 2 2(8) ring motifs. The dimers are then linked into a three-dimensional network by inter­molecular C—H⋯O and C—H⋯Cl hydrogen bonds, and by C—H⋯π inter­actions. Further stabilization is provided by π–π inter­actions involving the sydnone rings, with centroid–centroid separations of 3.4198 (5) Å.
doi:10.1107/S1600536811013900
PMCID: PMC3089192  PMID: 21754480
2.  N′-(4-Chloro­benzyl­idene)-2-hydroxy­benzohydrazide 
The title mol­ecule, C14H11ClN2O2, adopts a trans configuration with respect to the C=N double bond. An intra­molecular N—H⋯O hydrogen bond contributes to mol­ecular conformation and the two benzene rings form a dihedral angle of 17.9 (8)°. In the crystal structure, inter­molecular O—H⋯O hydrogen bonds link the mol­ecules into chains running along [10].
doi:10.1107/S160053680803972X
PMCID: PMC2967992  PMID: 21581722
3.  4-{2-[2-(4-Chloro­benzyl­idene)hydrazinyl­idene]-3,6-dihydro-2H-1,3,4-thia­diazin-5-yl}-3-phenyl­sydnone 
The title compound, C18H13ClN6O2S, exists in trans and cis configurations with respect to the acyclic C=N bonds [C=N = 1.2837 (15) and 1.3000 (14) Å, respectively]. The 3,6-dihydro-2H-1,3,4-thia­diazine ring adopts a half-boat conformation. The sydnone ring is approximately planar [maximum deviation = 0.002 (1) Å] and forms dihedral angles of 50.45 (7) and 61.21 (6)° with the aromatic rings. In the crystal, inter­molecular N—H⋯N, C—H⋯Cl and C—H⋯S hydrogen bonds link the mol­ecules into layers parallel to ab plane. The crystal packing is stabilized by C—H⋯π inter­actions and further consolidated by π–π inter­actions involving the phenyl rings [centroid–centroid distance = 3.6306 (7) Å].
doi:10.1107/S1600536811013912
PMCID: PMC3089094  PMID: 21754481
4.  N′-(2-Chloro­benzyl­idene)-2-hydr­oxy-3-methyl­benzohydrazide 
In the title compound, C15H13ClN2O2, the dihedral angle between the two benzene rings is 3.4 (5)° and the mol­ecule adopts an E configuration with respect to the C=N bond. There is an intra­molecular O—H⋯O hydrogen bond in the mol­ecule, which generates an S(6) loop. In the crystal structure, mol­ecules are linked through inter­molecular N—H⋯O hydrogen bonds, forming C(4) chains running along the a axis.
doi:10.1107/S1600536810012110
PMCID: PMC2979247  PMID: 21579089
5.  (E)-N′-(2-Chloro­benzyl­idene)-2-methoxy­benzohydrazide 
The mol­ecule of the title compound, C15H13ClN2O2, displays an E configuration about the C=N bond. The dihedral angle between the two benzene rings is 77.1 (2)°. In the crystal structure, mol­ecules are linked through inter­molecular N—H⋯O hydrogen bonds, forming chains running along the b axis.
doi:10.1107/S1600536809039725
PMCID: PMC2971275  PMID: 21578264
6.  N 2-(4-Chloro­benzyl­idene)-4-nitro­benzene-1,2-diamine 
In the title compound, C13H10ClN3O2, the dihedral angle between the two benzene rings is 3.61 (6)°. In the crystal structure, mol­ecules are linked by weak inter­molecular C—H⋯O hydrogen bonds, forming layers parallel to the bc plane. Short inter­molecular Cl⋯Cl contacts [3.491 (1) Å] are also observed.
doi:10.1107/S1600536810030461
PMCID: PMC3007845  PMID: 21588591
7.  (E)-N′-(4-Chloro­benzyl­idene)-p-toluene­sulfonohydrazide 0.15-hydrate 
The asymmetric unit of the title compound, C14H13ClN2O2S·0.15H2O, a novel sulfonamide derivative, comprises two crystallographically independent mol­ecules (A and B) and a water mol­ecule of crystallization, which is partially occupied. One of the mol­ecules (B) is disordered over two positions (B and C) with refined site occupancies of 0.605 (10) and 0.395 (10). The dihedral angles between the two benzene rings in mol­ecules A, B and C are 67.8 (3), 74.6 (5) and 84.96 (11)°, respectively. In the crystal structure, inter­molecular N—H⋯O and C—H⋯O hydrogen bonds link the components of the asymmetric unit. The crystal structure is further stabilized by inter­molecular π–π inter­actions [centroid–centroid distances = 3.4518 (10)–3.5859 (10) Å].
doi:10.1107/S1600536809014512
PMCID: PMC2977795  PMID: 21583931
8.  Crystal structure of 2-[(E)-2-(2-chloro­benzyl­idene)hydrazin-1-yl]-4-phenyl-1,3-thia­zole 
The asymmetric unit of the title compound, C16H12ClN3S, contains two independent mol­ecules whose conformations differ primarily in the orientations of the phenyl and chloro­benzene rings with respect to the thia­zole ring. In the first mol­ecule, the dihedral angles are 3.0 (1) and 9.2 (1)°, respectively, for the phenyl ring and the chloro­benzene ring, while in the second mol­ecule, the corresponding angles are 18.6 (1) and 23.4 (1)°. In the crystal, the two independent mol­ecules are associated via complementary N—H⋯N hydrogen bonds into a dimer. These dimers are associated through weak C—H⋯Cl and C—H⋯S inter­actions into supra­molecular chains propagating along the a-axis direction.
doi:10.1107/S1600536814016298
PMCID: PMC4186150  PMID: 25309246
crystal structure; 1,3-thia­zole; hydrogen bonding; hydrogen-bonded dimers
9.  (E)-4-Chloro-N′-(2-chloro­benzyl­idene)benzohydrazide 
The title compound, C14H10Cl2N2O, was synthesized by the reaction of 2-chloro­benzaldehyde with an equimolar quantity of 4-chloro­benzohydrazide in methanol. The mol­ecule displays an E configuration about the C=N bond. The dihedral angle between the two benzene rings is 8.6 (2)°. In the crystal structure, mol­ecules are linked through inter­molecular N—H⋯O hydrogen bonds, forming chains running along the c axis.
doi:10.1107/S1600536809035739
PMCID: PMC2970258  PMID: 21577848
10.  2-Chloro-N′-(2-chloro­benzyl­idene)benzohydrazide 
The mol­ecule of the title compound, C14H10Cl2N2O, adopts an E configuration about the C=N bond. The dihedral angle between the two benzene rings is 79.7 (2)°. In the crystal structure, mol­ecules are linked by inter­molecular N—H⋯O, C—H⋯Cl and C—H⋯O hydrogen bonds, forming chains running along the b axis.
doi:10.1107/S1600536809043803
PMCID: PMC2970987  PMID: 21578457
11.  19-[(E)-4-Chloro­benzyl­idene]-16-(4-chloro­phen­yl)-2-hydr­oxy-1,11-diaza­hexa­cyclo­[15.3.1.02,10.03,8.010,17.011,15]henicosa-3(8),4,6-triene-9,18-dione 
In the title compound, C32H26Cl2N2O3, the piperidone ring adopts a chair conformation and the proline and pyrrolidine rings adopt envelope conformations. The indane ring system is essentially planar with an r.m.s. deviation of 0.011 Å for the non-H atoms. The dihedral angle between the two chloro-substituted benzene rings is 63.69 (10)°. Intra­molecular C—H⋯O and N—H⋯O hydrogen bonds may influence the mol­ecular conformation. In the crystal structure, mol­ecules are connected into layers by weak inter­molecular C—H⋯O hydrogen bonds.
doi:10.1107/S1600536810018611
PMCID: PMC2979351  PMID: 21579517
12.  N,N′-Bis(4-chloro­benzyl­idene)-2,2-dimethyl­propane-1,3-diamine 
The title compound, C19H20Cl2N2, is a potential bidentate Schiff base ligand. Intra­molecular C—H⋯N hydrogen bonds form five-membered rings, generating S(5) ring motifs. Each imino functional group is coplanar with its adjacent benzene ring; the two benzene rings form a dihedral angle of 51.30 (4)°. An inter­esting feature of the crystal structure is weak inter­molecular Cl⋯Cl [3.4752 (4) Å] and Cl⋯N [3.2927 (9) Å] inter­actions. Inter­molecular Cl⋯N inter­actions link mol­ecules into dimers with R22(22) ring motifs. The crystal structure is further stabilized by weak π–π [centroid–centroid distances = 3.6970 (6)–3.8560 (6) Å] inter­actions.
doi:10.1107/S1600536808035307
PMCID: PMC2960008  PMID: 21581254
13.  N′-(2-Chloro­benzyl­idene)-4-hydroxy­benzohydrazide 
In the mol­ecule of the title compound, C14H11ClN2O2, the dihedral angle between the benzene rings is 30.53 (4)°. In the crystal structure, inter­molecular O—H⋯O and N—H⋯O hydrogen bonds link the mol­ecules into a two-dimensional network. π–π contacts between benzene rings [centroid–centroid distance = 3.619 (1) Å] may further stabilize the structure. The crystal studied was found to be an inversion twin.
doi:10.1107/S1600536809030797
PMCID: PMC2969926  PMID: 21577514
14.  N,N′-(4-Chloro­benzyl­idene)dipyrimidin-2-amine 
The title compound, C15H13ClN6, contains two pyrimidine rings and one benzene ring, where the dihedral angle between the planes through the pyrimidine rings is 81.57 (10)°, and those between the pyrimidine rings and the benzene ring are 84.02 (8) and 89.46 (7)°, indicating that the three rings are almost perpendicular. In the crystal, inter­molecular N—H⋯N hydrogen bonds link the mol­ecules into infinite chains along (100).
doi:10.1107/S1600536809045243
PMCID: PMC2971878  PMID: 21578719
15.  3,5-Bis(4-chloro­benzyl­idene)-1-methyl­piperidin-4-one 
In the title mol­ecule, C20H17Cl2NO, the central heterocyclic ring adopts a flattened boat conformation. The dihedral angles between the planar part of this central heterocyclic ring [maximum deviation = 0.004 (1) Å] and the two almost planar side-chain fragments [maximum deviations = 0.015 (1) and 0.019 (1) Å], that include the aromatic ring and bridging atoms, are 18.1 (1) and 18.0 (1)°. In the crystal, pairs of weak inter­molecular C—H⋯O hydrogen bonds link mol­ecules into inversion dimers that form stacks along the a axis. The structure is further stabilized by weak inter­molecular C—H⋯π inter­actions involving the benzene rings.
doi:10.1107/S1600536811006994
PMCID: PMC3099892  PMID: 21754057
16.  (E)-N′-(2-Chloro­benzyl­idene)-4-methoxy­benzohydrazide 
The mol­ecule of the title compound, C15H13ClN2O2, adopts an E geometry about the C=N bond. The dihedral angle between the two benzene rings is 62.7 (2)°. In the crystal structure, mol­ecules are linked through inter­molecular N—H⋯O hydrogen bonds, forming chains running along the c axis.
doi:10.1107/S1600536809037854
PMCID: PMC2970262  PMID: 21577995
17.  1-Benzyl-3,5-bis­(4-chloro­benzyl­idene)piperidin-4-one 
The title compound, C26H21Cl2NO, crystallizes with two symmetry-independent mol­ecules (A and B) in the asymmetric unit. In both mol­ecules, the central heterocyclic ring adopts a sofa conformation. The dihedral angles between the planar part of this central heterocyclic ring [maximum deviations of 0.011 (1) and 0.036 (1) Å in mol­ecules A and B, respectively] and the two almost planar [maximum deviations of 0.020 (1) and 0.008 (1) Å in A and 0.007 (1) and 0.011 (1) in B] side-chain fragments that include the aromatic ring and bridging atoms are 20.1 (1) and 31.2 (1)° in mol­ecule A, and 26.4 (1) and 19.6 (1)° in mol­ecule B. The dihedral angles between the planar part of the heterocyclic ring and the benzyl substituent are 79.7 (1) and 53.2 (1)° in mol­ecules A and B, respectively. In the crystal, weak inter­molecular C—H⋯O hydrogen bonds link the two independent mol­ecules into dimers.
doi:10.1107/S1600536811018587
PMCID: PMC3120573  PMID: 21754872
18.  (E)-4-Bromo-N-(2-chloro­benzyl­idene)­aniline 
In the title Schiff base mol­ecule, C13H9BrClN, the dihedral angle between the benzene rings is 49.8 (2)° and the mol­ecule has an E configuration about the C=N bond. In the crystal, there are no directional interactions but only van der Waals inter­molecular inter­action forces between neighbouring mol­ecules.
doi:10.1107/S1600536811029977
PMCID: PMC3213634  PMID: 22091211
19.  N′-[(E)-2-Chloro­benzyl­idene]thio­phene-2-carbohydrazide 
There are two independent mol­ecules in the asymmetric unit of the title compound, C12H9ClN2OS, a Schiff base derived from hydrazide, in which the dihedral angles between the thio­phene and benzene rings are 3.6 (3) and 7.3 (3)°. In the crystal, the two independent mol­ecules are arranged about an approximate non-crystallographic inversion center and are connected by two N—H⋯O hydrogen bonds. Weak C—H⋯Cl contacts are also present. Conversely, there are neither significant aromatic stacking inter­actions nor contacts involving S atoms.
doi:10.1107/S1600536813020850
PMCID: PMC3884466  PMID: 24427070
20.  N-[(E)-2-Chloro­benzyl­idene]-3-(4-methyl­benzyl­sulfan­yl)-5-(3,4,5-trimethoxy­phen­yl)-4H-1,2,4-triazol-4-amine 
In the title compound, C26H25ClN4O3S, the acyclic imine group exhibits an E configuration. The triazole ring is oriented at dihedral angles of 53.84 (2), 70.77 (1) and 32.59 (3)° with respect to the benzene rings of the 2-chloro­benzyl­idene, 4-methyl­benzyl­sulfanyl and 3,4,5-trimethoxy­phenyl groups, respectively. The crystal packing is stabilized by weak inter­molecular C—H⋯N, C—H⋯S and C—H⋯π inter­actions.
doi:10.1107/S1600536809009842
PMCID: PMC2968782  PMID: 21582581
21.  Benzyl N-(1-{N′-[(E)-2-chloro­benzyl­idene]hydrazinecarbon­yl}-2-hy­droxy­eth­yl)carbamate 
The mol­ecule of the title compound, C18H18ClN3O4, is twisted about the chiral C atom with the dihedral angle between the two amide residues being 87.8 (5)°, but, overall, it can be described as curved, with the benzene rings lying on the same side of the mol­ecule [dihedral angle = 62.8 (4)°]. The conformation about the imine bond [1.294 (7) Å] is E. In the crystal, a two-dimensional array in the ab plane is mediated by O—H⋯O and N—H⋯O hydrogen bonds as well as C—H⋯Cl inter­actions. The layers stack along the c-axis direction, being connected by C—H⋯.π contacts.
doi:10.1107/S1600536811024895
PMCID: PMC3151956  PMID: 21837231
22.  N-(4-Chloro­benzyl­idene)-3,4-dimethyl­isoxazol-5-amine 
The mol­ecule of the title compound, C12H11ClN2O, has E configuration at the azomethine double bond and is virtually planar with a dihedral angle of 1.25 (13)° between the benzene and isoxazole rings. C—H⋯π inter­actions stabilize the crystal structure.
doi:10.1107/S1600536810029284
PMCID: PMC3007510  PMID: 21588416
23.  N-[(E)-4-Chloro­benzyl­idene]-N′-phenyl­benzene-1,4-diamine 
The title compound, C19H15ClN2, adopts an E configuration with respect to the position of the chloro­benzene and diphenyl­amine groups on the C=N azomethine bond. The mol­ecule is not planar, the central six-membered ring making angles of 12.26 (10) and 44.18 (11)° with the 4-chloro­phenyl and phenyl rings, respectively. In the crystal structure, weak C—H⋯π inter­actions contribute to the stabilization of the packing.
doi:10.1107/S160053681002742X
PMCID: PMC3007474  PMID: 21588348
24.  (3E,5E)-1-Acryloyl-3,5-bis­(2-chloro­benzyl­idene)piperidin-4-one 
In the title compound, C22H17Cl2NO2, the asymmetric unit consists of two crystallographically independent mol­ecules and each piperidinone ring adopts an envelope conformation. The dihedral angles between the two chloro­benzene rings are 24.81 (10) and 19.15 (8)° in the two mol­ecules. In the crystal, mol­ecules are connected via weak inter­molecular C—H⋯O hydrogen bonds forming layers perpendicular to the a axis.
doi:10.1107/S1600536811015042
PMCID: PMC3089119  PMID: 21754526
25.  (E)-3-Bromo-N′-(2-chloro­benzyl­idene)benzohydrazide 
The title compound, C14H10BrClN2O, was synthesized by the reaction of 2-chloro­benzaldehyde with an equimolar quantity of 3-bromo­benzohydrazide in methanol. The mol­ecule displays an E configuration about the C=N bond. The dihedral angle between the two benzene rings is 13.0 (2)°. In the crystal structure, mol­ecules are linked through inter­molecular N—H⋯O hydrogen bonds, forming chains propagating along the c axis.
doi:10.1107/S160053680902412X
PMCID: PMC2969211  PMID: 21582957

Results 1-25 (145281)