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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.  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
5.  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
6.  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
7.  (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
8.  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
9.  (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
10.  Crystal structure of (1Z)-1-(4-chloro­benzyl­idene)-5-(4-meth­oxy­phen­yl)-3-oxopyrazolidin-1-ium-2-ide 
The planar pyrazolidine ring occurs in the betaine form with a Z conformation of the exocyclic C=N bond. In the crystal, C—H⋯O and C—H⋯π inter­actions result in the formation of ribbons of mol­ecules along [10].
The title mol­ecule, C17H15ClN2O2, is L-shaped with the 4-chloro­benzyl­idene ring almost coplanar with the planar pyrazolidine ring (r.m.s. deviation = 0.020 Å), making a dihedral angle of 4.83 (17)°. The 4-meth­oxy­phenyl ring is almost normal to the mean plane of the pyrazolidine ring and the 4-chloro­benzyl­idene ring, with dihedral angles of 87.36 (17) and 89.23 (16)°, respectively. The pyrazolidine ring occurs in the betaine form with a Z configuration for the exocyclic C=N bond. In the crystal, C—H⋯O and C—H⋯π inter­actions generate ribbons of mol­ecules along [1-10].
doi:10.1107/S1600536814014445
PMCID: PMC4158503  PMID: 25249861
crystal structure; pyrazolidinium ylide; betaine structure
11.  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
12.  (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
13.  (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
14.  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
15.  4,4′-Dianilino-3,3′-(4-chloro­benzyl­idene)bis­[furan-2(5H)-one] 
In the mol­ecule of the title compound, C27H21ClN2O4, the dihedral angle between the furan rings is 67.00 (3)°. The chloro­phenyl ring is oriented at dihedral angles of 76.61 (3) and 69.36 (3)° with respect to the furan rings. An intra­molecular N—H⋯O inter­action results in the formation of an eight-membered ring with a twisted conformation. In the crystal structure, inter­molecular N—H⋯O and C—H⋯O inter­actions link the mol­ecules into a three-dimensional network, forming R 2 2(16) ring motifs. Three weak C—H⋯π inter­actions are also found.
doi:10.1107/S1600536809021084
PMCID: PMC2969224  PMID: 21582807
16.  (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
17.  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
18.  (E)-6-Bromo-3-{2-[2-(4-chloro­benzyl­idene)hydrazin­yl]thia­zol-5-yl}-2H-chromen-2-one 
In the title compound, C19H11N3O2SClBr, the chromene ring system and the thia­zole ring are each approximately planar, with maximum deviations of 0.033 (3) Å and 0.006 (3) Å, respectively. The mol­ecule adopts an E configuration about the central C=N double bond. The central thia­zole ring makes dihedral angles of 9.06 (14)° and 12.07 (11)° with the chloro-substituted phenyl ring and the chromene ring, respectively. The mol­ecular structure features a short C—H⋯O contact, which generates an S(6) ring motif. The crystal structure is stabilized by inter­molecular N—H⋯O hydrogen bonds, which link the mol­ecules into chains along the b axis. π–π stacking inter­actions [centroid-centroid distance = 3.4813 (15) Å] are also present.
doi:10.1107/S1600536811011172
PMCID: PMC3099884  PMID: 21754027
19.  7-(4-Chloro­benzyl­idene)-3-[(4-chloro­phen­oxy)meth­yl]-6-(4-nitro­thio­phen-2-yl)-7H-1,2,4-triazolo[3,4-b][1,3,4]thia­diazine 
In the title compound, C22H13Cl2N5O3S2, the thia­diazine ring adopts a half-chair conformation. The benzene rings of the chloro­phen­oxy and chloro­benzyl groups and the thio­phene ring form dihedral angles of 35.6 (1), 80.7 (1) and 14.2 (1)°, respectively, with the triazole ring. In the crystal, mol­ecules are connected into sheets parallel to (11) by inter­molecular C—H⋯N and C—H⋯Cl hydrogen bonds. In addition, π–π stacking inter­actions are observed between thio­phene and triazole rings, and between inversion-related triazole rings [centroid–centroid distances = 3.5975 (11) and 3.4324 (11) Å].
doi:10.1107/S1600536811015637
PMCID: PMC3089255  PMID: 21754553
20.  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
21.  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
22.  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
23.  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
24.  2-(1H-1,2,3-Benzotriazol-1-yl)-N′-(2-chloro­benzyl­idene)acetohydrazide 
In the title compound, C15H12ClN5O, the mean planes of the benzotriazole and chloro­phenyl fragments form a dihedral angle of 70.8 (1)°. In the crystal, mol­ecules are linked into infinite chains along the a axis by N—H⋯O hydrogen bonds. Weak inter­molecular C—H⋯N hydrogen bonds further link these chains into layers parallel to the ab plane. The crystal studied was a racemic twin.
doi:10.1107/S1600536810050440
PMCID: PMC3050203  PMID: 21522757
25.  (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

Results 1-25 (146049)