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 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 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 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-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].

5,7-Dimethyl-1,2,4-triazolo[1,5-a]pyrimidine

2006 ◽  
Vol 62 (4) ◽  
pp. o1310-o1311 ◽  
Author(s):  
Mustafa Odabaşoğlu ◽  
Orhan Büyükgüngör
Keyword(s):  
Hydrogen Bonds ◽  
Least Squares ◽  
Dihedral Angle ◽  
Title Compound ◽  
Two Dimensional ◽  
Asymmetric Unit ◽  
Π Interactions ◽  
Compound C ◽  
Independent Molecules ◽  
Planar Symmetry

The molecules in the title compound, C7H8N4, are linked into sheets by a combination of C—H...N hydrogen bonds and π–π interactions. The hydrogen bonds generate two-dimensional networks with a C(6) chain motif. There are two planar symmetry-independent molecules in the asymmetric unit, with a dihedral angle of 4.29 (8)° between their least-squares mean planes.

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].

1,1′-(2,5-Dimethyl-1,4-phenylenemethylene)di-1H-imidazole dihydrate

2006 ◽  
Vol 62 (5) ◽  
pp. o1733-o1734
Author(s):  
Wen-Hua Wang ◽  
Wei Dou ◽  
Zhong-Lu You ◽  
Wei-Sheng Liu ◽  
Da-Qi Wang
Keyword(s):  
Hydrogen Bonds ◽  
Water Molecule ◽  
Title Compound ◽  
Organic Molecule ◽  
Organic Molecules ◽  
Two Dimensional ◽  
Asymmetric Unit ◽  
One Dimensional ◽  
Compound C ◽  
Chain Links

In the title compound, C16H18N4·2H2O, there is one half-molecule (organic) and one water molecule in the asymmetric unit, the organic molecule being centrosymmetric. The separation of the two terminal N atoms is 11.296 (8) Å and the dihedral angle between the benzene and imidazole rings is 85.27 (18)°; the molecule adopts a Z-shaped conformation. A one-dimensional water chain links the organic molecules, forming a two-dimensional ladder-shaped network along the b-axis direction through intermolecular O—H...O and N—H...O hydrogen bonds.

Dimers linked by type-I C—F...F—C contacts in (Z)-3-methyl-4-[2-(4-methylphenyl)hydrazinylidene]-1-(pentafluorophenyl)-1H-pyrazol-5(4H)-one

2013 ◽  
Vol 69 (10) ◽  
pp. 1200-1204 ◽  
Author(s):  
Luis Alvarez-Thon ◽  
Carlos Bustos ◽  
Katherina Espinoza-Santibañez ◽  
Maria Teresa Garland ◽  
Ricardo Baggio
Keyword(s):  
Hydrogen Bonds ◽  
Title Compound ◽  
Type I ◽  
Two Dimensional ◽  
Asymmetric Unit ◽  
Π Interactions ◽  
Compound C ◽  
Medium Strength ◽  
Independent Molecules

The title compound, C17H11F5N4O, is described and compared with two closely related analogues in the literature. There are two independent molecules in the asymmetric unit, linked by N—H...O hydrogen bonds and π–π interactions into dimeric entities, presenting a noticeable noncrystallographicC2symmetry. These dimers are in turn linked by a medium-strength type-I C—F...F—C interaction into elongated tetramers. Much weaker C—H...F contacts link the tetramers into broad two-dimensional substructures parallel to (101).

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