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-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 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.

N-[(R)-1-Phenylethyl]thiobenzamide

2006 ◽  
Vol 62 (4) ◽  
pp. o1513-o1515 ◽  
Author(s):  
Zhong-Lin Lu ◽  
Hoong-Kun Fun ◽  
Suchada Chantrapromma ◽  
R. Stan Brown
Keyword(s):  
Solid State ◽  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
Intramolecular Interactions ◽  
Asymmetric Unit ◽  
Π Interactions ◽  
Compound C

The title compound, C15H15NS, crystallizes with two crystallographically independent and conformationally almost identical molecules in the asymmetric unit. Both molecules are non-planar, the dihedral angle between the two phenyl planes in each molecule being 76.41 (11) and 86.65 (10)°. An anti conformation of the amide and thio groups is observed in the thioamide fragment. In the solid state, the structure is stabilized by weak C—H...S intramolecular interactions, intermolecular N—H...S hydrogen bonds and C—H...π interactions.

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].

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