scholarly journals 2,2-Bis(1H-indol-3-yl)indolin-3-one

2009 ◽  
Vol 65 (6) ◽  
pp. o1353-o1353
Author(s):  
Zhao-Hao Li ◽  
Jing Xu ◽  
Wen-Liang Wu ◽  
Wei-Ping Su
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Dihedral Angles ◽  
Two Dimensional ◽  
Dimensional Network ◽  
The Mean ◽  
Title Molecule

In the title molecule, C24H17N3O, the mean plane of the indolone ring forms dihedral angles of 112.0 (1) and 103.1 (1)° with the planes of the two indole rings. The dihedral angle between the mean planes of the two indole rings is 63.5 (1)°. In the crystal structure, molecules are linkedviaintermolecular N—H...O hydrogen bonds, forming a two-dimensional network parallel to theabplane.

scholarly journals Crystal structure of 5,5′-[(4-fluorophenyl)methylene]bis[6-amino-1,3-dimethylpyrimidine-2,4(1H,3H)-dione]

2014 ◽  
Vol 70 (10) ◽  
pp. o1098-o1099 ◽  
Author(s):  
Naresh Sharma ◽  
Goutam Brahmachari ◽  
Bubun Banerjee ◽  
Rajni Kant ◽  
Vivek K. Gupta
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Three Dimensional ◽  
Dihedral Angles ◽  
Two Dimensional ◽  
Π Interactions ◽  
Dimensional Network ◽  
Centroid Distance ◽  
The Mean ◽  
Title Molecule

In the title molecule, C19H21FN6O4, the dihedral angles between the benzene ring and essentially planar pyrimidine rings [maximum deviations of 0.036 (2) and 0.056 (2) Å] are 73.32 (7) and 63.81 (8)°. The dihedral angle between the mean planes of the pyrimidine rings is 61.43 (6)°. In the crystal, N—H...O hydrogen bonds link molecules, forming a two-dimensional network parallel to (001) and in combination with weak C—H...O hydrogen bonds, a three-dimensional network is formed. Weak C—H...π interactions and π–π interactions, with a centroid–centroid distance of 3.599 (2) Å are also observed.

scholarly journals Crystal structure of 2-nitro-N-(5-nitro-1,3-thiazol-2-yl)benzamide

2014 ◽  
Vol 70 (12) ◽  
pp. o1252-o1252 ◽  
Author(s):  
Rodolfo Moreno-Fuquen ◽  
Diego F. Sánchez ◽  
Javier Ellena
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Dihedral Angles ◽  
Two Dimensional ◽  
Compound C ◽  
Dimensional Network ◽  
Benzene Rings ◽  
The Mean ◽  
Amide Fragment

In the title compound, C10H6N4O5S, the mean plane of the non-H atoms of the central amide fragment C—N—C(=O)—C [r.m.s. deviation = 0.0294 Å] forms dihedral angles of 12.48 (7) and 46.66 (9)° with the planes of the thiazole and benzene rings, respectively. In the crystal, molecules are linked by N—H...O hydrogen bonds, forming chains along [001]. In addition, weak C—H...O hydrogen bonds link these chains, forming a two-dimensional network, containingR44(28) ring motifs parallel to (100).

scholarly journals Methyl 4-(4-hydroxyphenyl)-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate

2014 ◽  
Vol 70 (3) ◽  
pp. o306-o306
Author(s):  
Nikhath Fathima ◽  
H. Nagarajaiah ◽  
Noor Shahina Begum
Keyword(s):  
Hydrogen Bonds ◽  
Carbonyl Group ◽  
Benzene Ring ◽  
Dihedral Angle ◽  
Maximum Deviation ◽  
Two Dimensional ◽  
Dimensional Network ◽  
The Mean ◽  
Title Molecule

In the title molecule, C13H14N2O3S, the dihydropyrimidine ring is in a flattened sofa conformation, with the methine C atom forming the flap. The dihedral angle between the mean plane of the five essentially planar atoms of the dihydropyrimidine ring [maximum deviation = 0.056 (4) Å] and the benzene ring is 89.4 (2)°. The O atom of the carbonyl group is in atransconformation with respect to the C=C bond of the dihydropyrimidine ring. In the crystal, N—H...O and O—H...S hydrogen bonds connect molecules, forming a two-dimensional network parallel to (001).

scholarly journals Crystal structure of ethyl (2S)-9-methoxy-2-methyl-4-oxo-3,4,5,6-tetrahydro-2H- 2,6-methanobenzo[g][1,3,5]oxadiazocine-11-carboxylate

2015 ◽  
Vol 71 (2) ◽  
pp. o117-o118
Author(s):  
A. Dhandapani ◽  
S. Manivarman ◽  
S. Subashchandrabose ◽  
B. Gunasekaran
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
Two Dimensional ◽  
Π Interactions ◽  
Compound C ◽  
Dimensional Network ◽  
The Mean

In the title compound, C15H18N2O5, the methoxyphenyl ring makes a dihedral angle of 84.70 (12)° with the mean plane of the tetrahydropyrimidin-2(1H)-one ring. Both the pyran and tetrahydropyrimidin-2(1H)-one rings have distorted envelope conformations with the carboxylate-substituted C atom as the flap. In the crystal, molecules are linkedviapairs of N—H...O hydrogen bonds, forming zigzag chains propagating along [010], which encloseR22(8) ring motifs. The chains are linked by C—H...π interactions, forming a two-dimensional network parallel to (100).

scholarly journals Crystal structure of (2E)-3-(3-ethoxy-4-hydroxyphenyl)-1-(4-hydroxyphenyl)prop-2-en-1-one

2014 ◽  
Vol 70 (11) ◽  
pp. o1202-o1203
Author(s):  
R. Vasanthi ◽  
D. Reuben Jonathan ◽  
K. S. Elizhlarasi ◽  
B. K. Revathi ◽  
G. Usha
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Network Structure ◽  
Dihedral Angles ◽  
Supramolecular Network ◽  
Two Dimensional ◽  
Compound C ◽  
Benzene Rings ◽  
The Mean

In the title compound, C17H16O4, the dihedral angle between the benzene rings is 21.22 (1)° and the mean plane of the prop-2-en-1-one group makes dihedral angles of 10.60 (1) and 11.28 (1)°, respectively, with those of the hydroxyphenyl and ethoxyphenyl rings. The ethoxy substituent forms a dihedral angle of 88.79 (2)° with the the prop-2-en-1-one group, which is found to be slightly twisted. In the crystal, phenolic O—H...O hydrogen bonds to the carbonyl O atom form a two-dimensional supramolecular network structure lying parallel to (010).

scholarly journals N-(3-Chloro-1H-indazol-5-yl)-4-methoxybenzenesulfonamide

2013 ◽  
Vol 69 (11) ◽  
pp. o1632-o1632
Author(s):  
Hakima Chicha ◽  
El Mostapha Rakib ◽  
Latifa Bouissane ◽  
Mohamed Saadi ◽  
Lahcen El Ammari
Keyword(s):  
Hydrogen Bonds ◽  
Benzene Ring ◽  
Dihedral Angle ◽  
Title Compound ◽  
Two Dimensional ◽  
Common Edge ◽  
Compound C ◽  
Dimensional Network ◽  
The Common ◽  
The Mean

In the title compound, C14H12ClN3O3S, the fused five- and six-membered rings are folded slightly along the common edge, forming a dihedral angle of 3.2 (1)°. The mean plane through the indazole system makes a dihedral angle of 30.75 (7)° with the distant benzene ring. In the crystal, N—H...O hydrogen bonds link the molecules, forming a two-dimensional network parallel to (001).

scholarly journals Crystal structure of quinolinium 2-carboxy-6-nitrobenzoate monohydrate

2015 ◽  
Vol 71 (5) ◽  
pp. o270-o271 ◽  
Author(s):  
J. Mohana ◽  
M. Divya Bharathi ◽  
G. Ahila ◽  
G. Chakkaravarthi ◽  
G. Anbalagan
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Benzene Ring ◽  
Dihedral Angle ◽  
Carboxy Group ◽  
Three Dimensional ◽  
Dihedral Angles ◽  
Π Stacking ◽  
Dimensional Network ◽  
Molecular Salt

In the anion of the title hydrated molecular salt, C9H8N+·C8H4NO6−·H2O, the protonated carboxyl and nitro groups makes dihedral angles of 27.56 (5) and 6.86 (8)°, respectively, with the attached benzene ring, whereas the deprotonated carboxy group is almost orthogonal to it with a dihedral angle of 80.21 (1)°. In the crystal, the components are linked by O—H...O and N—H...O hydrogen bonds, generating [001] chains. The packing is consolidated by weak C—H...N and C—H...O interactions as well as aromatic π–π stacking [centroid-to-centroid distances: 3.7023 (8) & 3.6590 (9)Å] interactions, resulting in a three-dimensional network.

scholarly journals Crystal structure of 4-azidomethyl-6-isopropyl-2H-chromen-2-one

2015 ◽  
Vol 71 (4) ◽  
pp. o227-o228 ◽  
Author(s):  
M. S. Krishnamurthy ◽  
Noor Shahina Begum ◽  
D. Shamala ◽  
K. Shivashankar
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Ring System ◽  
Maximum Deviation ◽  
Two Dimensional ◽  
Π Interactions ◽  
Dimensional Network ◽  
Title Molecule

In the title molecule, C13H13N3O2, the benzopyran ring system is essentially planar, with a maximum deviation of 0.017 (1) Å. In the crystal, weak C—H...O hydrogen bonds link molecules into ladders along [010]. In addition, π–π interactions between inversion-related molecules, with centroid–centroid distances in the range 3.679 (2)–3.876 (2) Å, complete a two-dimensional network parallel to (001).

scholarly journals (E)-3,4,5-Trimethoxy-N′-[(6-methoxy-4-oxo-4H-chromen-3-yl)methylidene]benzohydrazide monohydrate

2014 ◽  
Vol 70 (8) ◽  
pp. o832-o832 ◽  
Author(s):  
Yoshinobu Ishikawa ◽  
Kohzoh Watanabe
Keyword(s):  
Hydrogen Bonds ◽  
Water Molecule ◽  
Benzene Ring ◽  
Dihedral Angles ◽  
Two Dimensional ◽  
Solvent Water Molecule ◽  
Solvent Water ◽  
Dimensional Network ◽  
The Mean

In the title chromone-tethered benzohydrazide derivative, C21H20N2O7·H2O, the atoms of the 4H-chromen-4-one segment are essentially coplanar (r.m.s. deviation = 0.0073 Å) with the largest deviation from the mean plane [0.012 (3) Å] being found for the benzene C atom. The dihedral angles between the chromone segment and the hydrazide plane and between the chromone segment and the benzene ring of the trimethoxybenzene unit are 24.67 (9) and 41.28 (8) Å, respectively. The molecule is connected to the solvent water molecule by O—H...O hydrogen bonds and weak C—H...O interactions. Additional N—H...O interactions are observed and together they link the molecules into chains forming a two-dimensional network along (011).

scholarly journals 2-(3,4-Dimethyl-5,5-dioxo-2H,4H-pyrazolo[4,3-c][1,2]benzothiazin-2-yl)-N-(2-fluorobenzyl)acetamide

2012 ◽  
Vol 68 (8) ◽  
pp. o2470-o2471 ◽  
Author(s):  
Matloob Ahmad ◽  
Hamid Latif Siddiqui ◽  
Naveed Ahmad ◽  
Sana Aslam ◽  
Masood Parvez
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonding ◽  
Dihedral Angle ◽  
Chair Conformation ◽  
Membered Ring ◽  
Dihedral Angles ◽  
Hydrogen Bonding Interactions ◽  
Thiazine Ring ◽  
The Mean ◽  
Title Molecule

In the title molecule, C20H19FN4O3S, the heterocyclic thiazine ring adopts a half-chair conformation with the S atom displaced by 0.668 (4) Å from the mean plane formed by the remaining ring atoms. The mean planes of the benzene and pyrazole rings are inclined with respect to each other at a dihedral angle of 17.4 (3)°. The acetamide chain (O/N/C/C/C) linking the pyrazole and 2-fluorobenzyl rings is essentially planar (r.m.s. deviation = 0.030 Å) and forms dihedral angles with the mean planes of these rings of 78.8 (2) and 78.89 (14)°, respectively. The crystal structure is stabilized by N—H...O and C—H...O hydrogen-bonding interactions, resulting in a six-membered ring with anR21(6) motif, while C—H...O and C—H...F hydrogen-bonding interactions result in chains of molecules lying along thecaxis in a zigzag fashion.

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