scholarly journals 4,7-Dichloro-1H-indole-2,3-dione

IUCrData ◽  
2016 ◽  
Vol 1 (9) ◽  
Author(s):  
James A. Golen ◽  
David R. Manke
Keyword(s):  
Hydrogen Bonds ◽  
Title Compound ◽  
Interplanar Distance ◽  
Mean Deviation ◽  
Asymmetric Unit ◽  
Π Interactions ◽  
Compound C ◽  
Planar Molecule ◽  
Centroid Distance

The title compound, C8H3Cl2NO2, has a single near-planar molecule in the asymmetric unit, with the non-H atoms having a mean deviation from planarity of 0.042 Å. In the crystal, the molecules dimerize through two N—H...O hydrogen bonds. The molecules are further linked through slipped π–π interactions that propagate along theaaxis [inter-centroid distance = 3.8639 (10) Å, interplanar distance = 3.3478 (10) Å and slippage = 1.9292 (15) Å].

scholarly journals 7-Bromo-1H-indole-2,3-dione

IUCrData ◽  
2016 ◽  
Vol 1 (2) ◽  
Author(s):  
James A. Golen ◽  
David R. Manke
Keyword(s):  
Solid State ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Interplanar Distance ◽  
Mean Deviation ◽  
Asymmetric Unit ◽  
Π Interactions ◽  
Compound C ◽  
Planar Molecule ◽  
Close Contacts

The title compound, C8H4BrNO2, has a single planar molecule in the asymmetric unit with the non-H atoms possessing a mean deviation from planarity of 0.034 Å. The molecules dimerize in the solid state through N—H...O hydrogen bonds. These dimers are further linked by intermolecular Br...O close contacts of 3.085 (2) Å to yield infinite chains along [20-1]. The nine-membered rings of the isatins stack along theaaxis, with parallel slipped π–π interactions [intercentroid distance = 3.8320 (7) Å, interplanar distance = 3.341 (2) Å and slippage = 1.876 (4) Å].

scholarly journals 4-Bromo-1H-indole-2,3-dione

IUCrData ◽  
2016 ◽  
Vol 1 (2) ◽  
Author(s):  
Haobo Huang ◽  
James A. Golen ◽  
David R. Manke
Keyword(s):  
Solid State ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Mean Deviation ◽  
Asymmetric Unit ◽  
Π Interactions ◽  
Compound C ◽  
Planar Molecule ◽  
Centroid Distance ◽  
Close Contacts

The title compound, C8H4BrNO2, has a single planar molecule in the asymmetric unit with the non-H atoms possessing a mean deviation from planarity of 0.024 Å. The molecules dimerize in the solid state through N—H...O hydrogen bonds. There are intermolecular Br...O close contacts at 3.0430 (14) Å. The nine-membered rings of the isatins stack along [001] with parallel slipped π–π interactions [inter-centroid distance: 3.7173 (6) Å, inter-planar distance: 3.3110 (8) Å, slippage: 1.6898 (14) Å].

scholarly journals 7-Iodo-1H-indole-2,3-dione

IUCrData ◽  
2016 ◽  
Vol 1 (3) ◽  
Author(s):  
James A. Golen ◽  
David R. Manke
Keyword(s):  
Solid State ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Mean Deviation ◽  
Asymmetric Unit ◽  
Π Interactions ◽  
Compound C ◽  
Planar Molecule ◽  
Close Contacts

The title compound, C8H4INO2, has a single planar molecule in the asymmetric unit, with the non-H atoms possessing a mean deviation from planarity of 0.058 Å. The molecules dimerize in the solid state through N—H...O hydrogen bonds. There are intermolecular I...O close contacts of 3.193 (4) Å that link the molecules into infinite chains along [20-1]. No π–π interactions were observed in the structure.

scholarly journals 6-Bromo-1H-indole-2,3-dione hemihydrate

IUCrData ◽  
2016 ◽  
Vol 1 (1) ◽  
Author(s):  
John R. Turbitt ◽  
James A. Golen ◽  
David R. Manke
Keyword(s):  
Hydrogen Bonds ◽  
Water Molecule ◽  
Title Compound ◽  
Mean Deviation ◽  
Two Dimensional ◽  
Asymmetric Unit ◽  
Π Interactions ◽  
Compound C ◽  
Planar Molecule

The title compound, C8H4BrNO2·0.5H2O, has a single planar molecule in the asymmetric unit with the non-H atoms having a mean deviation from planarity of 0.028 Å. There is also a half of a water molecule (twofold symmetry) present in the asymmetric unit, which hydrogen bonds with the isatin molecules through O—H...O and N—H...O hydrogen bonds to form a two-dimensional framework in theabplane. There are close Br...O contacts of 2.999 (2) Å to link the layers. The nine-membered rings of the isatin molecules stack along theaaxis with parallel slipped π–π interactions [inter-centroid distances = 3.6989 (19) and 4.1227 (19) Å].

scholarly journals 1-(3,4-Dimethoxyphenyl)ethanone

IUCrData ◽  
2016 ◽  
Vol 1 (11) ◽  
Author(s):  
Heather A. Mills-Robles ◽  
Vasumathi Desikan ◽  
James A. Golen ◽  
David R. Manke
Keyword(s):  
Solid State ◽  
Title Compound ◽  
Interplanar Distance ◽  
Mean Deviation ◽  
Asymmetric Unit ◽  
Π Interactions ◽  
Compound C ◽  
Planar Molecule

The title compound, C10H12O3, has a single near planar molecule in the asymmetric unit, with the non-H atoms possessing a mean deviation from planarity of 0.132 Å. The molecules dimerize in the solid state through C—H...O interactions. These dimers are further linked through parallel slipped π–π interactions of the aryl rings [intercentroid distance = 3.5444 (11) Å, interplanar distance = 3.3998 (12) Å, slippage = 1.002 (2) Å].

scholarly journals 5-Bromo-1H-indole-2,3-dione

IUCrData ◽  
2016 ◽  
Vol 1 (2) ◽  
Author(s):  
Sita Gurung ◽  
James A. Golen ◽  
David R. Manke
Keyword(s):  
Hydrogen Bonds ◽  
Title Compound ◽  
Mean Deviation ◽  
Asymmetric Unit ◽  
Π Interactions ◽  
Compound C ◽  
Planar Molecule

The title compound, C8H4BrNO2, has a single, almost planar, planar molecule in the asymmetric unit, with the non-H atoms having a mean deviation from planarity of 0.024 Å. In the crystal, N—H...O hydrogen bonds link the molecules into [001]C(4) chains. C—H...O interactions form [0-11] chains. These interactions combine to generate sheets along (100). No π–π interactions are observed in the structure.

scholarly journals 4,6-Dichloro-1H-indole-2,3-dione

IUCrData ◽  
2016 ◽  
Vol 1 (5) ◽  
Author(s):  
Ronald J. Mastrolia ◽  
James A. Golen ◽  
David R. Manke
Keyword(s):  
Hydrogen Bonds ◽  
Title Compound ◽  
Mean Deviation ◽  
Asymmetric Unit ◽  
Π Interactions ◽  
Compound C ◽  
Planar Molecule

The title compound, C8H3Cl2NO2, has a single, almost planar, molecule in the asymmetric unit, with the non-H atoms having a mean deviation from planarity of 0.027 Å. In the crystal, N—H...O hydrogen bonds form infiniteC(4) chains along [100]. No π–π interactions were observed in the structure.

scholarly journals 7-Methyl-1H-indole-2,3-dione

IUCrData ◽  
2017 ◽  
Vol 2 (3) ◽  
Author(s):  
Myrria-Tahisha A. Lyncee ◽  
Vasumathi Desikan ◽  
James A. Golen ◽  
David R. Manke
Keyword(s):  
Hydrogen Bonds ◽  
Single Molecule ◽  
Title Compound ◽  
Interplanar Distance ◽  
Mean Deviation ◽  
Asymmetric Unit ◽  
Π Interactions ◽  
Compound C

The title compound, C9H7NO2, has a single molecule in the asymmetric unit, with the non-H atoms possessing a mean deviation from planarity of 0.034 Å. In the crystal, the molecules dimerize through pairs of N—H...O hydrogen bonds. The nine-membered rings of the isatins stack along the b axis, through parallel slipped π–π interactions [intercentroid distance = 3.8832 (4) Å, interplanar distance = 3.4038 (7) Å and slippage = 1.8690 (12) Å].

[(Z)-2-(3-Methyl-1,2,4-oxadiazol-5-yl)-2-(1-naphthyl)ethenylamino]formaldehyde oxime 1,4-dioxane hemisolvate

2007 ◽  
Vol 63 (11) ◽  
pp. o4261-o4262
Author(s):  
Kensuke Okuda ◽  
Hiromi Watanabe ◽  
Takashi Hirota ◽  
Kazuma Gotoh ◽  
Hiroyuki Ishida
Keyword(s):  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
Solvent Molecule ◽  
Asymmetric Unit ◽  
Π Interactions ◽  
Compound C ◽  
Π Stacking ◽  
Centroid Distance ◽  
Independent Molecules

In the asymmetric unit of the title compound, C16H14N4O2·0.5C4H8O2, there are two crystallographically independent oxime molecules and one solvent molecule. Each oxime molecule has intramolecular N—H...O and N—H...N hydrogen bonds, which make the non-H atoms approximately coplanar except for the naphthyl groups. The two independent molecules are connected to each other by O—H...N hydrogen bonds, forming a dimer. Dimers are linked into a layer through C—H...O, C—H...N and C—H...π interactions. There is π-stacking of approximately parallel oxadiazole rings, with a centroid–centroid distance of 3.6234 (9) Å and a dihedral angle of 8.90 (6)°. Dioxane C and H atoms are disordered over two sites each, with occupancy factors of ca 0.78:0.22.

scholarly journals 1-(4-Bromophenylsulfinyl)-2-methylnaphtho[2,1-b]furan

2012 ◽  
Vol 68 (4) ◽  
pp. o1246-o1246
Author(s):  
Hong Dae Choi ◽  
Pil Ja Seo ◽  
Uk Lee
Keyword(s):  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
Interplanar Distance ◽  
Π Interactions ◽  
Compound C ◽  
Centroid Distance ◽  
Benzene Rings ◽  
The Mean

In the title compound, C19H13BrO2S, the 4-bromophenyl ring makes a dihedral angle of 83.75 (4)° with the mean plane of the naphthofuran fragment [r.m.s. deviation = 0.024 (2) Å]. In the crystal, molecules are linkedviapairs of C—H...O hydrogen bonds, forming inversion dimers. These dimers are connected by weak π–π interactions between the central naphthofuran benzene rings of neighbouring molecules [centroid–centroid distance = 3.483 (2) Å, interplanar distance = 3.416 (2) Å and slippage = 0.680 (2) Å].

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