scholarly journals 6-Amino-3-methyl-1-phenyl-1H-pyrazolo[3,4-b]pyrazine-5-carboxamide

IUCrData ◽  
2016 ◽  
Vol 1 (11) ◽  
Author(s):  
Manpreet Kaur ◽  
Shaaban K. Mohamed ◽  
Mehmet Akkurt ◽  
Jerry P. Jasinski ◽  
Talaat I. El-Emary ◽  
...  
Keyword(s):  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
Phenyl Ring ◽  
Molecular Conformation ◽  
Ring System ◽  
Pyrazine Ring ◽  
Π Interactions ◽  
Compound C ◽  
Phenyl Rings

In the title compound, C13H12N6O, the pyrazolo[3,4-b]pyrazine ring system is planar (r.m.s. deviation for the nine fitted atoms = 0.024 Å) and makes a dihedral angle of 5.72 (6)° with the pendent phenyl ring. The molecular conformation is stabilized by intramolecular N—H...O and C—H...N hydrogen bonds, each generating anS(6) loop. In the crystal, pairs of molecules are connected into inversion dimers by strong N—H...O hydrogen bonds, formingR22(8) ring motifs. These are linked into sheets parallel to (100)viaN—H...N hydrogen bonds; π–π interactions between symmetry-related pyrazole and phenyl rings [centroid–centroid distances = 3.4453 (9) Å] within the sheets are also noted.

scholarly journals 2-Bromo-1-(1-phenylsulfonyl-1H-indol-3-yl)propan-1-one

2014 ◽  
Vol 70 (3) ◽  
pp. o295-o296
Author(s):  
C. Ramathilagam ◽  
P. R. Umarani ◽  
V. Saravanan ◽  
A. K. Mohanakrishnan ◽  
B. Gunasekaran ◽  
...  
Keyword(s):  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
Phenyl Ring ◽  
Ring System ◽  
Indole Ring ◽  
Methyl Group ◽  
Π Interactions ◽  
Compound C ◽  
A Chain

In the title compound, C17H14BrNO3S, the phenyl ring makes a dihedral angle of 89.78 (16)° with the plane of the indole ring system. The terminal Br atom and the methyl group are disordered over two sets of sites, with site occupancies of 0.860 (2) and 0.140 (2). In the crystal, molecules are linked into a chain along theb-axis direction by weak C—H...O hydrogen bonds. The chains are further linked by C—H...π interactions, forming layers parallel to thebcplane.

scholarly journals 1-(2-Bromomethyl-1-phenylsulfonyl-1H-indol-3-yl)propan-1-one

2013 ◽  
Vol 69 (12) ◽  
pp. o1802-o1803 ◽  
Author(s):  
M. Umadevi ◽  
V. Saravanan ◽  
R. Yamuna ◽  
A. K. Mohanakrishnan ◽  
G. Chakkaravarthi
Keyword(s):  
Molecular Structure ◽  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
Phenyl Ring ◽  
Ring System ◽  
Indole Ring ◽  
Axis Direction ◽  
Π Interactions ◽  
Compound C

In the title compound, C18H16BrNO3S, the dihedral angle between the phenyl ring and the indole ring system is 89.91 (11)°. The molecular structure features weak C—H...O and C—H...Br hydrogen bonds. In the crystal, molecules are linked by weak C—H...O hydrogen bonds, forming chains along thea-axis direction. The chains are further linked by C—H...π interactions, forming a layer parallel to theabplane.

scholarly journals Ethyl 2-amino-4-(3-nitrophenyl)-4H-1-benzothieno[3,2-b]pyran-3-carboxylate

2014 ◽  
Vol 70 (5) ◽  
pp. o587-o587 ◽  
Author(s):  
Mohamed Bakhouch ◽  
Ghali Al Houari ◽  
Mohamed El Yazidi ◽  
Mohamed Saadi ◽  
Lahcen El Ammari
Keyword(s):  
Hydrogen Bonds ◽  
Aromatic Ring ◽  
Dihedral Angle ◽  
Title Compound ◽  
Phenyl Ring ◽  
Three Dimensional ◽  
Ring System ◽  
Π Interactions ◽  
Compound C ◽  
Dimensional Network

The molecule of the title compound, C20H16N2O5S, is built up by one fused five-membered and two fused six-membered rings linked to ethoxycarbonyl and 3-nitrophenyl groups. The benzothienopyran ring system is nearly planar (r.m.s deviation = 0.0392 Å) and forms a dihedral angle of 86.90 (6)° with the aromatic ring of the nitrobenzene group. In the crystal, molecules are linked by N—H...O hydrogen bonds and by π–π interactions between the phenyl ring and the six-membered heterocyle [intercentroid distance = 3.5819 (8) Å], forming a three-dimensional network.

scholarly journals Crystal structure of 4-[(2,4-dichlorophenyl)(5-hydroxy-3-methyl-1-phenyl-1H-pyrazol-4-yl)methyl]-5-methyl-2-phenyl-2,3-dihydro-1H-pyrazol-3-one

2015 ◽  
Vol 71 (10) ◽  
pp. o805-o806 ◽  
Author(s):  
Balbir Kumar ◽  
Hitesh Mahajan ◽  
Satya Paul ◽  
Rajni Kant ◽  
Vivek K. Gupta
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
Phenyl Ring ◽  
Ring System ◽  
Π Interactions ◽  
Compound C

In the title compound C27H22Cl2N4O2, the pyrazol-5-ol ring makes a dihedral angle of 34.80 (11)° with the phenyl ring to which it is bound, while the pyrazolone ring is inclined at 34.34 (12)° to its attached phenyl ring. In the crystal, N—H...O and C—H...Cl hydrogen bonds link the molecules into chains along [010]. Intermolecular π–π interactions are observed between the pyrazolone ring and the phenyl ring bound to the pyrazol-5-ol ring system [centroid–centroid separation = 3.916 (2) Å].

scholarly journals 1,1-Difluoro-3-phenyl-9-(pyridin-2-yl)-1H-1λ4,11λ4-1,3,5,2-oxadiazaborinino[3,4-a][1,8]naphthyridine

IUCrData ◽  
2016 ◽  
Vol 1 (7) ◽  
Author(s):  
Bang Zhong Wang ◽  
Yong Zhou ◽  
Jun Ping Zhou ◽  
Jian Song Luo ◽  
Shao Ming Chi
Keyword(s):  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
Phenyl Ring ◽  
Pyridine Ring ◽  
Three Dimensional ◽  
Ring System ◽  
Supramolecular Architecture ◽  
Π Interactions ◽  
Compound C

In the title compound, C20H13BF2N4O, the central fused three-ring oxadiazaborininonaphthyridine system is planar (r.m.s. deviation of 0.03 Å). The phenyl ring lies in the plane of this ring system, making a dihedral angle of 0.61 (14)°, and is inclined to the pyridine ring by 9.02 (19)°. In the crystal, molecules are connected by C—H...F hydrogen bonds, forming chains propagating along theb-axis direction. The chains are linked by offset π–π interactions [intercentroid distance = 3.4550 (13) Å], forming a three-dimensional supramolecular architecture.

scholarly journals N-Benzyl-2-hydroxyethanaminium cyanurate

2013 ◽  
Vol 69 (12) ◽  
pp. o1741-o1742 ◽  
Author(s):  
Carlos Abraham Contreras-Espejel ◽  
Marco A. García-Eleno ◽  
Ericka Santacruz-Juárez ◽  
Reyna Reyes-Martínez ◽  
David Morales-Morales
Keyword(s):  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
Phenyl Ring ◽  
Keto Form ◽  
Π Interactions ◽  
Compound C ◽  
Centroid Distance ◽  
Phenyl Rings ◽  
Hydrogen Bonded

In the cation of the title compound C9H14ON+·C3H2O3N3−, the benzylamine C—N bond subtends a dihedral angle of 78.3 (2)° with the phenyl ring. The cyanurate anion is in the usual keto-form and shows an r.m.s. deviation from planarity of 0.010 Å. In the crystal, the cyanurate anions form N—H...O hydrogen-bonded zigzag ribbons along [001]. These ribbons are crosslinked by the organocationsviaO—H...N and N—H...O hydrogen bonds, forming bilayers parallel to (010) which are held together along [010] by slipped π–π interactions between pairs of cyanurate anions [shortest contact distances C...C = 3.479 (2), O...N = 3.400 (2); centroid–centroid distance=4.5946 (9) Å] and between cyanurate and phenyl rings [centroid–centroid distance = 3.7924 (12) Å, ring–ring angle = 11.99 (10)°].

scholarly journals 1-(6-Chloro-1-methyl-1H-imidazo[4,5-c]pyridin-4-yl)-3-(2-chlorophenyl)urea

2014 ◽  
Vol 70 (2) ◽  
pp. o155-o156
Author(s):  
Venkatesh B. Devaru ◽  
M. Vinduvahini ◽  
M. Madaiah ◽  
H. D. Revanasiddappa ◽  
H. C. Devarajegowda
Keyword(s):  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
Phenyl Ring ◽  
Pyridine Ring ◽  
Molecular Conformation ◽  
Ring System ◽  
Compound C ◽  
Centroid Distance

In the title compound, C14H11Cl2N5O, the plane of the 1H-imidazo[4,5-c]pyridine ring system [r.m.s. deviation = 0.087 (19) Å] makes a dihedral angle of 4.87 (10)° with the terminal phenyl ring. An intramolecular N—H...N hydrogen bond stabilizes the molecular conformation. In the crystal, N—H...O hydrogen bonds link the molecules into inversion dimers. These dimers are connected by π–π interactions between imidazole rings [shortest centroid–centroid distance = 3.4443 (14) Å].

scholarly journals 9-O-Butylberberrubinium bromide

2009 ◽  
Vol 65 (6) ◽  
pp. o1370-o1370 ◽  
Author(s):  
Zhu Chen ◽  
Xue-Gang Li ◽  
Yong-Sheng Xie ◽  
Xiao-Li Ye
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
Phenyl Ring ◽  
Crystal Packing ◽  
Ring System ◽  
Naphthalene Ring ◽  
Π Interactions ◽  
Compound C

In the title compound, C23H24NO4+·Br−, the butyl chain is disordered between two conformations; the occupancies refined to 0.735 (7) and 0.265 (7). The dihedral angle between the naphthalene ring system and the phenyl ring is 11.6 (2)°. In the crystal structure, the cations are packedviaπ–π interactions into stacks propagating in the [010] direction. Weak intermolecular C—H...O and C—H...Br hydrogen bonds contribute further to the crystal packing stability.

scholarly journals Crystal structure of (E)-diethyl 2-[(1-phenylsulfonyl-1H-indol-3-yl)methylidene]succinate

2015 ◽  
Vol 71 (12) ◽  
pp. o1029-o1030
Author(s):  
M. Umadevi ◽  
Potharaju Raju ◽  
R. Yamuna ◽  
Arasambattu K. Mohanakrishnan ◽  
G. Chakkaravarthi
Keyword(s):  
Crystal Structure ◽  
Dihedral Angle ◽  
Title Compound ◽  
Phenyl Ring ◽  
Molecular Conformation ◽  
Ring System ◽  
Indole Ring ◽  
Π Interactions ◽  
Compound C ◽  
Graph Set

In the title compound, C23H23NO6S, the phenyl ring is perpendicular [dihedral angle = 89.34 (9)°] to the indole ring system. In the molecule, the ethoxy groups are each disordered over two sets of sites with occupancy ratios of 0.671 (6):0.329 (6) and 0.75 (3):0.25 (3). The molecular conformation is consolidated by a weak C—H...O interaction, which generates anS(6) graph–set motif. The packing of the molecules in the crystal structure features weak C—H...π interactions.

scholarly journals Ethyl 5-methyl-7-phenyl-1,2,4-triazolo[4,3-a]pyrimidine-6-carboxylate

2014 ◽  
Vol 70 (6) ◽  
pp. o672-o673 ◽  
Author(s):  
Omaima M. AboulWafa ◽  
Ahmed M. Farghaly ◽  
Mohamed Teleb ◽  
Khaled S. Sinoussy
Keyword(s):  
Hydrogen Bonds ◽  
Title Compound ◽  
Phenyl Ring ◽  
Ring System ◽  
Carboxyl Group ◽  
Methyl Substituent ◽  
Π Interactions ◽  
Compound C ◽  
Phenyl Rings

In the title compound, C15H14N4O2, the triazolopyrimidine ring system is almost planar (r.m.s. deviation = 0.02 Å) and the phenyl ring is inclined to its mean plane by 42.45 (9)°. The carboxyl group is inclined to the triazolopyrimidine ring mean plane by 57.8 (3)°. In the molecule, there is a short C—H...O contact involving the carbonyl O atom and an H atom of the adjacent methyl substituent. In the crystal, neighbouring molecules are linked by C—H...O hydrogen bonds, forming chains propagating along [010]. There are also weak π–π interactions present involving the pyridine and phenyl rings of neighbouring chains [intercentroid distance = 3.8580 (16) Å].

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