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In the title benzene-solvated heteroleptic lithium complex, [Li(C25H21P2S2)(C10H8N2)]·C6H6, the LiI ion is four-coordinated in a distorted tetrahedral geometry by two S atoms and two N atoms of the two chelating ligands, viz. bis(diphenylthiophosphinoyl)methyl and 2,2′-bipyridine. The 2,2′-bipyridine molecule is slightly twisted with a dihedral angle between the pyridine rings of 7.35 (12)°. Intramolecular C—H
S hydrogen bonds are present. In the crystal, molecules are stacked along the c axis by π–π interactions, with centroid–centroid distances of 3.6021 (15) and 3.6401 (16) Å. The crystal structure also features weak C—Hπ interactions.
S hydrogen bonds are present. In the crystal, molecules are stacked along the c axis by π–π interactions, with centroid–centroid distances of 3.6021 (15) and 3.6401 (16) Å. The crystal structure also features weak C—Hπ interactions.organic compoundsOpen access
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In the title hydrated salt, C19H25N2+·I−·H2O, the 4-(diethylamino)phenyl unit of the cation is disordered over two positions in a 0.847 (3):0.153 (3) ratio. The cation is twisted, with dihedral angles between the pyridinium and benzene rings of 11.25 (13) and 10.7 (8)° for the major and minor components, respectively. In the crystal, the three components are linked into a centrosymmetric 2:2:2 unit by O—HI and C—HO hydrogen bonds. π–π interactions with centroid–centroid distances of 3.5065 (7)–3.790 (9) Å are also present.
I and C—HO hydrogen bonds. π–π interactions with centroid–centroid distances of 3.5065 (7)–3.790 (9) Å are also present.organic compoundsOpen access
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The asymmetric unit of the title compound, C18H18ClN3OS·C2H5OH, comprises a pyrazoline derivative and an ethanol solvent molecule. In the molecule of the pyrazoline derivative, the pyrazole ring adopts an envelope conformation with the C atom bearing the ethoxyphenyl substituent as the flap. The dihedral angle between the benzene rings is 74.22 (7)°. The ethoxy group is coplanar with the attached benzene ring [C—O—C—Cmethyl = 175.50 (11)° and r.m.s. deviation = 0.0459 (1) Å for the nine non-H atoms]. In the crystal, the pyrazoline molecules are linked by N—HOethoxy hydrogen bonds into chains along the c axis and are further linked with the solvent ethanol molecules by N—HOethanol and Oethanol—HS hydrogen bonds. C—Hπ interactions are also present.
Oethoxy hydrogen bonds into chains along the c axis and are further linked with the solvent ethanol molecules by N—HOethanol and Oethanol—HS hydrogen bonds. C—Hπ interactions are also present.metal-organic compoundsOpen access
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In the title complex, [Na(C7H7O4S)]n, the NaI ion is coordinated in a slightly distorted pentagonal-bipyramidal environment by seven O atoms [Na—O = 2.3198 (16)–2.5585 (17) Å]. The 4-methoxybenzenesulfonate anions act as bis-chelating and bridging ligands, forming a two-dimensional polymer parallel to (001), which is further linked into a three-dimensional network by weak C—HO hydrogen bonds.
O hydrogen bonds.organic compoundsOpen access
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The molecule of the title compound, C15H15NO2, adopts a trans conformation with respect to the methylidene C=N bond and is twisted with a dihedral angle of 26.31 (5)° between the two substituted benzene rings. The ethoxy group is almost coplanar with the bound benzene ring with a C—O—C—C torsion angle of −179.08 (9)°. In the crystal, molecules are linked by O—HN hydrogen bonds and weak C—HO interactions into chains propagating in the [011] and [01-1] directions. C—Hπ interactions are also present.
N hydrogen bonds and weak C—HO interactions into chains propagating in the [011] and [01-1] directions. C—Hπ interactions are also present.organic compoundsOpen access
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The molecule of the title heteroaryl chalcone derivative, C13H11NOS, exists in a trans-configuaration and is almost planar with a dihedral angle of 3.73 (8)° between the phenyl and thiophene rings. An intramolecular N—HO hydrogen bond generates an S(6) ring motif. In the crystal, two adjacent molecules are linked into a dimer in an anti-parallel face-to-face manner by a pair of C—HO interactions. Neighboring dimers are further linked into chains along the c-axis direction by N—HN hydrogen bonds.
O hydrogen bond generates an S(6) ring motif. In the crystal, two adjacent molecules are linked into a dimer in an anti-parallel face-to-face manner by a pair of C—HO interactions. Neighboring dimers are further linked into chains along the c-axis direction by N—HN hydrogen bonds.organic compoundsOpen access
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The title heteroaryl chalcone derivative, C17H17NO4, is close to planar: the dihedral angle between the pyridine and benzene rings is 3.71 (11)° and the methoxy C atoms deviate from their attached ring by 0.046 (3), −0.044 (2) and 0.127 (3) Å. The disposition of the pyridine N atom and the carbonyl group is anti [N—C—C—O = −177.7 (2)°]. In the crystal, molecules are linked by weak C—HN and C—HO interactions into (100) sheets and an aromatic π–π stacking interaction between the pyridine and benzene ring, with a centroid–centroid separation of 3.7036 (14) Å also occurs.
N and C—HO interactions into (100) sheets and an aromatic π–π stacking interaction between the pyridine and benzene ring, with a centroid–centroid separation of 3.7036 (14) Å also occurs.organic compoundsOpen access
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The title compound, C16H16N4O7, is close to being planar, with a dihedral angle of 3.15 (11)° between the benzene rings. The methoxy groups at the ortho- and para-positions of the 2,4,5-trimethoxyphenyl group are almost coplanar with the ring [deviations of the C atoms = 0.017 (2) and −0.025 (2) Å, respectively], whereas the meta-methoxy group deviates slightly [C-atom displacement = 0.162 (2) Å]. Both the ortho- and para-nitro groups are close to being coplanar with their attached ring [dihedral angles = 7.81 (12) and 8.56 (11)°, respectively]. An intramolecular N—HO hydrogen bond generates an S(6) ring motif. In the crystal, inversion dimers linked by pairs of N—HO hydrogen bonds involving the same H atom as the intramolecular bond generate R22(12) loops. The dimers are linked by weak C—HO interactions into sheets parallel to the (10-4) plane and the sheets are stacked by π–π interactions, with a centroid–centroid distance of 3.5974 (14) Å.
O hydrogen bond generates an S(6) ring motif. In the crystal, inversion dimers linked by pairs of N—HO hydrogen bonds involving the same H atom as the intramolecular bond generate R22(12) loops. The dimers are linked by weak C—HO interactions into sheets parallel to the (10-4) plane and the sheets are stacked by π–π interactions, with a centroid–centroid distance of 3.5974 (14) Å.organic compoundsOpen access
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In the molecule of title pyrazoline derivative, C17H18N4OS, the pyrazole ring adopts an envelope conformation with the flap atom, which bears the methoxyphenyl substituent, displaced by 0.0750 (12) Å from the plane through the other ring atoms. The two substituted benzene rings make a dihedral angle of 70.59 (6)°. The methoxy group is twisted slightly with respect to the attached benzene ring [Cmethyl—O—C—C torsion angle = −8.84 (15)°]. An intramolecular N—HN hydrogen bond occurs. In the crystal, the pyrazoline molecules are linked by N—HO and N—HS hydrogen bonds into zigzag layers parallel to the bc plane and stacked along the a axis by π–π interactions with centroid–centroid distances of 3.4690 (7) and 3.5792 (7) Å. C—Hπ interactions are also present.
N hydrogen bond occurs. In the crystal, the pyrazoline molecules are linked by N—HO and N—HS hydrogen bonds into zigzag layers parallel to the bc plane and stacked along the a axis by π–π interactions with centroid–centroid distances of 3.4690 (7) and 3.5792 (7) Å. C—Hπ interactions are also present.organic compoundsOpen access
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The title xanthone (systematic name: 3,6,11-trihydroxy-1,1-dimethyl-2,3-dihydrochromeno[2,3-f]chromen-7-one monohydrate), known as pruniflorone N, crystallized as a monohydrate, C18H16O6·H2O. The three ring systems of the xanthone skeleton are approximately coplanar, with an r.m.s. deviation of 0.0270 (1) Å from the plane through the 14 non-H atoms. The O atoms of the two hydroxy substituents on the benzene rings also lie close to this plane, with deviations of 0.019 (1) and 0.070 (1) Å. The 2′-hydroxy-4′,4′-dimethylpyran ring is disordered over two positions with a 0.798 (3):0.202 (3) site-occupancy ratio. An intramolecular O—HO hydrogen bond generates an S(6) ring motif. In the crystal, the xanthone and water molecules are linked into a three-dimensional network by O—HO hydrogen bonds and weak C—HO interactions. π–π interactions, with centroid–centroid distances of 3.5982 (7), 3.6081 (7) and 3.6456 (7) Å, are also observed.
O hydrogen bond generates an S(6) ring motif. In the crystal, the xanthone and water molecules are linked into a three-dimensional network by O—HO hydrogen bonds and weak C—HO interactions. π–π interactions, with centroid–centroid distances of 3.5982 (7), 3.6081 (7) and 3.6456 (7) Å, are also observed.organic compoundsOpen access
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In the title 3-cyanopyridine derivative, C21H19N3O4, the 3-cyano-substituted pyridine ring forms dihedral angles of 2.35 (5) and 41.60 (5)° with the unsubstituted pyridine and 2,4,5-trimethoxy-substituted benzene rings, respectively. The dihedral angle between the unsubstituted pyridine and benzene rings is 39.84 (5)°. The methoxy groups form Cmethyl—O—C—(C,N) torsion angles in the range 0.80 (15)–11.45 (15)°. In the crystal, molecules related by 21 screw axes are linked by weak C—HN hydrogen bonds along [010]. In addition, weak C—Hπ interactions and π–π stacking interactions between pyridine rings, with a centroid–centroid distance of 3.6448 (6) Å, are observed.
N hydrogen bonds along [010]. In addition, weak C—Hπ interactions and π–π stacking interactions between pyridine rings, with a centroid–centroid distance of 3.6448 (6) Å, are observed.organic compoundsOpen access
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In the title hydrated molecular salt, C22H25N2+·C6H4FO3S−·H2O, the cation displays whole molecule disorder over two sets of sites in a 0.780 (5):0.220 (5) ratio. The quinolinium ring system is essentially planar, with r.m.s. deviations of 0.0162 and 0.0381 Å for the major and minor disorder components, respectively. The dihedral angles between the mean plane of the quinolinium ring system and the benzene ring are 5.1 (3) and 7.7 (11)°, respectively, for the major and minor components in the cation. In the crystal, cations, anions and water molecules are linked into chains along [010] by O—HO hydrogen bonds and are further connected into a three-dimensional network by weak C—HO and C—HF interactions. In addition, π–π interactions with centroid–centroid distances of 3.634 (3), 3.702 (5) and 3.838 (5) Å are observed.
O hydrogen bonds and are further connected into a three-dimensional network by weak C—HO and C—HF interactions. In addition, π–π interactions with centroid–centroid distances of 3.634 (3), 3.702 (5) and 3.838 (5) Å are observed.organic compoundsOpen access
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In the title hydrated salt, C15H16NO2+·C6H4BrO3S−·H2O, the cation exists in an E conformation with respect to the ethenyl bond and is almost planar, with a dihedral angle of 2.62 (12)° between the planes of the pyridinium and benzene rings. The methoxy substituent deviates slightly from the plane of its attached benzene ring [Cmethyl—O—C—C torsion angle = −11.6 (6)°]. In the crystal, the cations, anion and water molecules are linked together into chains along [010] by O—HO hydrogen bonds and weak C—HO interactions. There is a short BrO contact [3.029 (2) Å]. The crystal structure also features C—Hπ interactions involving the benzene ring of the anion.
O hydrogen bonds and weak C—HO interactions. There is a short BrO contact [3.029 (2) Å]. The crystal structure also features C—Hπ interactions involving the benzene ring of the anion.organic compoundsOpen access
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The title compound, C15H15NO4S, was obtained by the condensation of 4-aminoacetophenone and 4-methoxybenzenesulfonyl chloride. The dihedral angle between the benzene rings is 86.56 (9)° and the molecule has an approximate V-shaped conformation. The C atom of the methoxy group is roughly coplanar with its attached ring [deviation = 0.177 (3) Å], as is the methyl C atom of the acetyl group with its ring [deviation = 0.065 (2) Å]. An intramolecular C—HO interaction generates an S(6) ring. In the crystal, N—HO and C—HO hydrogen bonds link the molecules into [010] chains. Weak C—Hπ interactions are also observed.
O interaction generates an S(6) ring. In the crystal, N—HO and C—HO hydrogen bonds link the molecules into [010] chains. Weak C—Hπ interactions are also observed.organic compoundsOpen access
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In the title mixed salt, 2C16H15N2+·C6H4ClO3S−·NO3−, one of the cations shows whole molecule disorder over two sets of sites in a 0.711 (7):0.289 (7) ratio. The 4-chorobenzenesulfonate anion is also disordered over two orientations in a 0.503 (6):0.497 (6) ratio. The cations are close to planar, the dihedral angles between the pyridinium and indole rings being 1.48 (3)° in the ordered cation, and 5.62 (3) and 2.45 (3)°, respectively, for the major and minor components of the disordered cation. In the crystal, the cations are stacked in an antiparallel manner approximately along the a-axis direction and linked with the anions via N—HO hydrogen bonds and C—HO interactions, generating a three-dimensional network. Weak C—Hπ and π–π interactions [with centroid–centroid distances of 3.561 (2)–3.969 (7) Å] are also observed.
O hydrogen bonds and C—HO interactions, generating a three-dimensional network. Weak C—Hπ and π–π interactions [with centroid–centroid distances of 3.561 (2)–3.969 (7) Å] are also observed.organic compoundsOpen access
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In the structure of the title nicotinonitrile derivative, C19H15N3O, the pyridine ring makes dihedral angles of 11.50 (7) and 43.36 (8)° with the 4-aminophenyl and phenyl rings, respectively, and the dihedral angle between the phenyl rings is 36.28°. In the crystal, molecules are linked by N—HN hydrogen bonds into wave-like sheets parallel to (10-2). These sheets are stacked by π–π interactions between the 4-aminophenyl rings of adjacent sheets, with centroid–centroid distances of 3.7499 (9) Å. C—Hπ interactions are also present.
N hydrogen bonds into wave-like sheets parallel to (10-2). These sheets are stacked by π–π interactions between the 4-aminophenyl rings of adjacent sheets, with centroid–centroid distances of 3.7499 (9) Å. C—Hπ interactions are also present.organic compoundsOpen access
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The title salt crystallized as the monohydrate C15H16NO2+·C6H4BrSO3−·H2O. The cation exists in an E conformation with respect to the ethynyl bond and is essentially planar, with a dihedral angle of 6.52 (14)° between the pyridinium and the benzene rings. The hydroxy and methoxy substituents are coplanar with the benzene ring to which they are attached, with an r.m.s. deviation of 0.0116 (3) Å for the nine non-H atoms [Cmethyl—O—C—C torsion angle = −0.8 (4)°]. In the crystal, the cations and anions are stacked by π–π interactions, with centroid–centroid distances of 3.7818 (19) and 3.9004 (17) Å. The cations, anions and water molecules are linked by O—HO hydrogen bonds and weak C—HO interactions, forming a three-dimensional network.
O hydrogen bonds and weak C—HO interactions, forming a three-dimensional network.
