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 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 4,7-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 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-Chloro-1H-indole-2,3-dione

IUCrData ◽  
2016 ◽  
Vol 1 (4) ◽  
Author(s):  
Rashid M. Juma ◽  
James A. Golen ◽  
David R. Manke
Keyword(s):  
Hydrogen Bonds ◽  
Title Compound ◽  
Mean Deviation ◽  
Asymmetric Unit ◽  
Π Interactions ◽  
Compound C ◽  
Donor Acceptor ◽  
Planar Molecules ◽  
Close Contacts

The title compound, C8H4ClNO2, has two planar molecules in the asymmetric unit, with the non-H atoms showing a mean deviation from planarity of 0.015 and 0.022 Å, respectively. In the crystal, the molecules are linked through N—H...O hydrogen bonds to form infinite chains along [010]. They are further connected through C—H...Cl close contacts with a donor–acceptor distance of 3.682 (5) Å. 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.

[(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-(Furan-2-yl)-2-(2H-indazol-2-yl)ethanone

2014 ◽  
Vol 70 (4) ◽  
pp. o505-o505 ◽  
Author(s):  
Özden Özel Güven ◽  
Gökhan Türk ◽  
Philip D. F. Adler ◽  
Simon J. Coles ◽  
Tuncer Hökelek
Keyword(s):  
Hydrogen Bonds ◽  
Title Compound ◽  
Three Dimensional ◽  
Dimensional Structure ◽  
Asymmetric Unit ◽  
Three Dimensional Structure ◽  
Π Interactions ◽  
Compound C ◽  
Centroid Distance ◽  
Independent Molecules

The asymmetric unit of the title compound, C13H10N2O2, contains two crystallographically independent molecules (AandB). The indazole ring systems are approximately planar [maximum deviations = 0.0037 (15) and −0.0198 (15) Å], and their mean planes are oriented at 80.10 (5) and 65.97 (4)° with respect to the furan rings in moleculesAandB, respectively. In the crystal, pairs of C—H...N hydrogen bonds link theBmolecules, forming inversion dimers. These dimers are bridged by theAmoleculesviaC—H...O hydrogen bonds, forming sheets parallel to (011). There are also C—H...π interactions present, and π–π interactions between neighbouring furan and the indazole rings [centroid–centroid distance = 3.8708 (9) Å] of inversion-related molecules, forming a three-dimensional structure.

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