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1.  Crystal structure of (E)-4-{2-[4-(all­yloxy)phen­yl]diazen­yl}benzoic acid 
The title compound has an E conformation about the azo­benzene linkage and the benzene rings are almost coplanar to one another [dihedral angle = 1.36 (7)°]. In the crystal, a combination of O—H⋯O and C—H⋯O hydrogen bonds and C—H⋯π inter­actions leads to the formation of slabs parallel to (001).
The title compound, C16H14N2O3, has an E conformation about the azo­benzene [—N=N– = 1.2481 (16) Å] linkage. The benzene rings are almost coplanar [dihedral angle = 1.36 (7)°]. The O atoms of the carb­oxy­lic acid group are disordered over two sets of sites and were refined with an occupancy ratio of 0.5:0.5. The two disordered components of the carb­oxy­lic acid group make dihedral angles of 1.5 (14) and 3.8 (12)° with the benzene ring to which they are attached. In the crystal, mol­ecules are linked via pairs of O—H⋯O hydrogen bonds, forming inversion dimers. The dimers are connected via C—H⋯O hydrogen bonds, forming ribbons lying parallel to [120]. These ribbons are linked via C—H⋯π inter­actions, forming slabs parallel to (001).
doi:10.1107/S1600536814023745
PMCID: PMC4257410  PMID: 25552976
crystal structure; azo­benzene; benzoic acid; liquid crystal; nematic phase
2.  Crystal structure of 3-[(2-acetyl­phen­oxy)carbon­yl]benzoic acid 
In the title compound, C16H12O5, synthesized from isopthaloyl chloride and 2′-hy­droxy­aceto­phenone, the dihedral angle between the planes of the aromatic rings is 71.37 (9)°. In the crystal, carb­oxy­lic acid inversion dimers generate R 2 2(8) loops. The dimers are linked by C—H⋯O inter­actions, generating (101) sheets.
doi:10.1107/S1600536814021904
PMCID: PMC4257273  PMID: 25484797
crystal structure; 3-[(2-acetyl­phen­oxy)carbon­yl]benzoic acid; hydrogen bonding; 2′-hy­droxy­aceto­phenone; isopthaloyl chloride
3.  2-{[2-(2-Hy­droxy-5-meth­oxy­benzyl­idene)hydrazin-1-yl­idene]meth­yl}-4-meth­oxy­phenol 
The title phenyl­hydrazine derivative, C16H16N2O4, has a crystallographically imposed centre of symmetry. Except for the methyl group, all non-H atoms are almost coplanar (r.m.s. deviation = 0.0095 Å). Intra­molecular O—H⋯N hydrogen bonds are observed, generating S(6) graph-set ring motifs.
doi:10.1107/S1600536813034636
PMCID: PMC3998297  PMID: 24764858
4.  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
5.  rac-(E,E)-N,N′-Bis(2-chloro­benzyl­idene)cyclo­hexane-1,2-di­amine 
In the title racemic Schiff base ligand, C20H20Cl2N2, which was prepared by the condensation of 2-chloro­benzaldehyde and cyclo­hexane-1,2-di­amine, the cyclo­hexane ring adopts a chair conformation and the dihedral angle between the aromatic rings of the 2-chloro­phenyl substituent groups is 62.52 (8)°. In the structure, there are two short intra­molecular methine C—H⋯Cl inter­actions [C⋯Cl = 3.066 (2) and 3.076 (3) Å], and in the crystal there are also weak inter­molecular aromatic C—H⋯Cl [3.464 (3), 3.553 (3) and 3.600 (3) Å] and Cl⋯Cl [3.557 (3) and 3.891 (3) Å] contacts.
doi:10.1107/S1600536813014554
PMCID: PMC3770357  PMID: 24046642
6.  2-Phen­oxy­ethyl benzoate 
In the title compound, C15H14O3, the dihedral angle between the benzene rings is 75.85 (7)°. In the crystal, centrosymmetrically related mol­ecules are weakly associated through pairs of inter­actions between a benzene ring and an O atom of the ester group [ring centroid⋯O = 3.952 (7) Å], and through pairs of inter­actions between the other benzene ring and an O atom of the phen­oxy group [ring centroid⋯O = 3.912 (7) Å], giving chains extending along [110].
doi:10.1107/S1600536813010878
PMCID: PMC3648312  PMID: 23723932
7.  2,2-Bis(pyridin-2-yl)-1,3-diazinane 
In the title compound, C14H16N4, the six-membered hexa­hydro­pyrimidine ring adopts a chair conformation. In the crystal, one of the two pyrimidine N atoms engages in N—H⋯N hydrogen bonding with one of the pyridine N atoms, generating a helical chain running along the c axis. The helical pitch is the length of the c axis.
doi:10.1107/S1600536813007459
PMCID: PMC3629617  PMID: 23634104
8.  (E)-N′-(3,4-Dihy­droxy­benzyl­idene)-2,4-dimethyl­benzohydrazide monohydrate 
In the title compound, C16H16N2O3·H2O, the dihedral angle between the benzene rings is 30.27 (7)°. In the crystal, the components are linked by N—H⋯O, O—H⋯O and C—H⋯O inter­actions into a three-dimensional network.
doi:10.1107/S1600536813005692
PMCID: PMC3629524  PMID: 23634042
9.  (E)-2,4-Dimethyl-N′-(2-methyl­benzyl­idene)benzohydrazide 
In the title benzoyl­hydrazide derivative, C17H18N2O, the dihedral angle between the benzene rings is 88.45 (8)° and the azomethine double bond adopts an E conformation. In the crystal, mol­ecules are linked by N—H⋯O and C—H⋯O hydrogen bonds, forming a chain along the b axis.
doi:10.1107/S1600536813004388
PMCID: PMC3588470  PMID: 23476582
10.  (E)-N′-(4-Chloro­benzyl­idene)-2-meth­oxy­benzohydrazide 
In the title hydrazone derivative, C15H13ClN2O2, the dihedral angle between the benzene rings is 2.36 (2)°. An intra­molecular N—H⋯O hydrogen bond is present. In the crystal, N—H⋯O and C—H⋯O hydrogen bonds link the mol­ecules into chains running parallel to the b axis.
doi:10.1107/S160053681300175X
PMCID: PMC3569803  PMID: 23424549
11.  (E)-2-Meth­oxy-N′-(2,4,6-trihy­droxy­benzyl­idene)benzohydrazide 
In the title hydrazone derivative, C15H14N2O5, the benzene rings are twisted by 7.55 (8)° with respect to each other. The azomethine double bond adopts an E conformation. The mol­ecular structure is stabilized by intra­molecular O—H⋯N and N—H⋯O hydrogen bonds, generating S6 ring motifs. In the crystal, mol­ecules are linked into a three-dimensional network by O—H⋯O hydrogen bonds.
doi:10.1107/S1600536813001748
PMCID: PMC3569804  PMID: 23424550
12.  Dichlorido(2,9-dimethyl-1,10-phenanthroline-κ2 N,N′)mercury(II) 
The title compound, [HgCl2(C14H12N2)], consists of one 2,9-dimethyl-1,10-phenanthroline (dmphen) ligand chelating the HgII ion and two chloride ligands coordinating to the HgII ion, forming a distorted tetra­hedral environment. The dmphen ligand is nearly planar (r.m.s. deviation = 0.0225 Å). The dihedral angle between the normal to the plane defined by the HgII atom and the two Cl atoms and the normal to the plane of the dmphen ring is 81.8 (1)°.
doi:10.1107/S1600536813001086
PMCID: PMC3569203  PMID: 23424405
13.  3-[2-(Triphenyl­phosphanyl­idene)acet­yl]-2H-chromen-2-one 
In the title compound, C29H21O3P, a coumarin-substitued ylid, the P atom is linked to three benzene rings and a planar coumarin moiety via a methyl­enecarbonyl group. The bond lengths in the P=C–C=O fragment clearly indicate a delocalized system involving the olefinic and carbonyl bonds. The mol­ecular structure is stabilized by an intra­molecular C—H⋯O inter­action that results in an S7 graph-set ring motif. In the crystal, mol­ecules are linked into a three-dimensional framework by C—H⋯O hydrogen bonds.
doi:10.1107/S160053681300127X
PMCID: PMC3569778  PMID: 23424524
14.  3-(2-Ethyl-2-phenyl­hydrazin-1-yl­idene)indolin-2-one 
In the title compound, C16H15N3O, the dihedral angle between the indole ring system (r.m.s. deviation = 0.020 Å) and the phenyl ring is 14.49 (9)°. The mol­ecular conformation is supported by an intra­molecular C—H⋯O inter­action, which closes an S(7) ring. In the crystal, inversion dimers linked by pairs of N—H⋯O hydrogen bonds generate R 2 2(8) loops.
doi:10.1107/S1600536812047988
PMCID: PMC3589046  PMID: 23476282
15.  N′-[(E)-2-Hy­droxy-5-meth­oxy­benzyl­idene]-2-meth­oxy­benzohydrazide 
The mol­ecule of the title compound, C16H16N2O4, adopts an E conformation about the azomethine C=N double bond. The dihedral angle formed by the benzene rings is 18.88 (9)°. The mol­ecular conformation is stabilized by an intra­molecular O—H⋯N hydrogen bond, which forms an S(6) ring. In the crystal, the mol­ecules are linked into chains parallel to [001] by N—H⋯O hydrogen bonds. The chains are further connected into a three-dimensional network by π–π stacking inter­actions with centroid–centroid distances of 3.6538 (10) and 3.8995 (11) Å.
doi:10.1107/S1600536812042389
PMCID: PMC3588809  PMID: 23468774
16.  N′-[(E)-2,3-Dihy­droxy­benzyl­idene]-2-meth­oxy­benzohydrazide 
The title compound, C15H14N2O4 adopts an E conformation about the azomethine double bond. Intra­molecular N—H⋯O and O—H⋯N hydrogen bonds generate S(6) rings and help to establish the molecular conformation. The dihedral angle between the benzene rings is 17.84 (10)°. In the crystal, mol­ecules are linked by O—H⋯O and C—H⋯O hydrogen bonds into a two-dimensional network with a herring-bone pattern arranged parallel to the bc plane.
doi:10.1107/S1600536812042390
PMCID: PMC3588810  PMID: 23468775
17.  5-Chloro-N-{4-oxo-2-[4-(trifluoro­meth­yl)phen­yl]-1,3-thia­zolidin-3-yl}-3-phenyl-1H-indole-2-carboxamide 
In the title compound, C25H17ClF3N3O2S, the five-membered 1,3-thia­zolidine ring adopts a twist conformation. The three F atoms of the CF3 group are disordered over two sets of sites with refined occupancies of 0.542 (18) and 0.458 (18). In the nine-membered 1H-indoline ring system, the 1H-pyrrole ring forms a dihedral angle of 4.7 (2)° with the benzene ring, while it is twisted at an angle of 46.5 (2)° with respect to the attached phenyl ring. The dihedral angle between the phenyl and trifluoro­methyl-substituted benzene rings is 56.0 (2)°. In the crystal, N—H⋯O hydrogen bonds connect the mol­ecules into a three-dimensional network. In addition, weak C—H⋯O hydrogen bonds and weak C—H⋯π inter­actions are observed.
doi:10.1107/S1600536812039347
PMCID: PMC3470337  PMID: 23125750
18.  (2,9-Dimethyl-1,10-phenanthroline-κ2 N,N′)bis­(thio­cyanato-κS)mercury(II) 
The asymmetric unit of the title compound, [Hg(SCN)2(C14H12N2)], contains two complex mol­ecules in which the HgII atoms are both four-coordinated in a distorted tetra­hedral configuration by two N atoms from a chelating 2,9-dimethyl-1,10-phenanthroline ligand and by two S atoms from two thio­cyanate anions. The 1,10-phenanthroline ligand is slightly folded for one complex, the dihedral angle between the pyridine planes being 5.3 (1)°. In contrast it is nearly planar [0.5 (1)°] as it complexes with the other HgII atom. The thio­cyanate ligands are virtually linear and the S atom is bonded to HgII with N⋯S—Hg angles ranging from 99.3 (1) to 103.5 (1)°. Despite the presence of six aromatic rings in the asymmetric unit, there are no significant inter­molecular π–π contacts between phenanthroline ligands as the centroid–centroid distance of the closest contact between six-membered rings is 4.11 (1) A°.
doi:10.1107/S1600536812038160
PMCID: PMC3470145  PMID: 23125589
19.  (E)-4-Meth­oxy-N′-(3,4,5-trihy­droxy­benzyl­idene)benzohydrazide methanol monosolvate 
The title compound, C15H14N2O5·CH3OH, displays an E conformation about the azomethine double bond [C=N = 1.277 (2) Å] and the benzene rings are inclined to one another by 18.28 (9)°. An intra­molecular O—H⋯O hydrogen bond occurs between the para-OH group and one of the meta-O atoms of the 3,4,5-trihy­droxy­benzyl­idene group. In the crystal, the components are linked into a three dimensional network by O—H⋯O, O—H⋯N and C—H⋯O hydrogen bonds.
doi:10.1107/S1600536812036550
PMCID: PMC3470206  PMID: 23125650
20.  (E)-4-Meth­oxy-N′-[(pyridin-4-yl)methyl­idene]benzohydrazide monohydrate 
In the title compound, C14H13N3O2·H2O, the azomethine double bond adopts an E conformation and the N—N=C—C torsion angle is 178.37 (19)°. The dihedral angle between the benzene and pyridine rings is 5.58 (12)° and the C atom of the meth­oxy group is roughly coplanar with its attached ring [deviation = 0.157 (3) Å]. In the crystal, the components are linked by O—H⋯O, O—H⋯N, N—H⋯O and C—H⋯O hydrogen bonds, forming (001) sheets. The water O atom accepts one N—H⋯O and two C—H⋯O inter­actions from the adjacent organic mol­ecule.
doi:10.1107/S1600536812034988
PMCID: PMC3435810  PMID: 22969656
21.  (E)-N′-(3,4-Dimeth­oxy­benzyl­idene)-4-meth­oxy­benzohydrazide 
In the title compound, C17H18N2O4, the azomethine double bond adopts an E conformation with an N—N—C—C torsion angle of −178.3 (3)°. The benzene rings are almost coplaner, with a dihedral angle of 2.98 (14)° between their mean planes. In the crystal, the molecules are linked by N—H⋯O hydrogen bonds, resulting in chains of mol­ecules lying parallel to the b axis. The structure is further consolidated by rather weak C—H⋯O hydrogen-bonding inter­actions, resulting in six-membered rings about inversion centers linked into chains arranged parallel to the b axis.
doi:10.1107/S1600536812034228
PMCID: PMC3435812  PMID: 22969658
22.  Methyl (E)-3,5-dimeth­oxy-2-{[2-(4-meth­oxy­benzo­yl)hydrazin-1-yl­idene]meth­yl}benzoate 
In the title compound, C19H20N2O6, the azomethine [C=N = 1.269 (2) Å] double bond adopts an E conformation and the dihedral angle between the planes of the benzene rings is 17.41 (11)°. In the crystal, inversion dimers linked by pairs of N—H⋯O hydrogen bonds generate R 2 2(16) loops. The dimers are connected by C—H⋯O and C—H⋯N hydrogen bonds, forming sheets lying parallel to (100).
doi:10.1107/S1600536812034782
PMCID: PMC3435694  PMID: 22969565
23.  5-Methyl-1H-indole-3-carbaldehyde 
The title mol­ecule, C10H9NO, is almost planar with an r.m.s. deviation for all non-H atoms of 0.0115 Å. In the crystal, mol­ecules are connected through N—H⋯O hydrogen bonds into chains running along [021]. The chains are further connected via C—H⋯π inter­actions, forming layers in the bc plane.
doi:10.1107/S1600536812034873
PMCID: PMC3435712  PMID: 22969583
24.  N-[(E)-Thio­phen-2-yl­methyl­idene]-1,3-benzothia­zol-2-amine 
In the title thio­phene-derived Schiff base compound, C12H8N2S2, the thio­phene ring is slighty rotated from the benzothia­zole group mean plane, giving a dihedral angle of 12.87 (6)°. The largest displacement of an atom in the mol­ecule from the nine-atom mean plane defined by the non-H atoms of the benzothia­zole ring system is 0.572 (1) Å, exhibited by the C atom at the 3-position of the thio­phene ring. In the crystal, weak C—H⋯S hydrogen bonds involving the thio­phene group S atom and the 4-position thio­phene C—H group of a symmetry-related mol­ecule lead to an infinite one-dimensional chain colinear with the c axis. The structure is further stabilized by π–π inter­actions; the distance between the thia­zole ring centroid and the centroid of an adjacent benzene ring is 3.686 (1) Å. The crystal studied was an inversion twin with the ratio of components 0.73 (3):0.27 (3).
doi:10.1107/S1600536812030498
PMCID: PMC3414944  PMID: 22904931
25.  6-Amino-1,3-dimethyl-5-[(E)-2-(methyl­sulfan­yl)benzyl­idene­amino]­pyrimidine-2,4(1H,3H)-dione–1,3,7,9-tetra­methyl­pyrimido[5,4-g]pteridine-2,4,6,8-tetrone (1/1) 
In the title co-crystal, C12H12N6O4·C14H16N4O2S, both mol­ecules are essentially planar [maximum deviations = 0.129 (1) and 0.097 (1) Å, respectively]. The tricyclic and Schiff base mol­ecules are alternately stacked along the a axis and are linked by π–π inter­actions with centroid–centroid distances of 3.5170 (16) and 3.6576 (17) Å. An intra­molecular C—H⋯O hydrogen bond and a C—H⋯S contact occur in the Schiff base molecule. In the crystal, N—H⋯O, N—H⋯N and C—H⋯O hydrogen bonds lead to the formation of a three-dimensional network.
doi:10.1107/S1600536812029716
PMCID: PMC3414272  PMID: 22904805

Results 1-25 (83)