scholarly journals tert-Butyl 2-{[5-(4-cyanophenyl)pyridin-3-yl]sulfonyl}acetate

2014 ◽  
Vol 70 (4) ◽  
pp. o415-o415
Author(s):  
H. C. Devarajegowda ◽  
B. S. Palakshamurthy ◽  
K. E. Manojkumar ◽  
S. Sreenivasa
Keyword(s):  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
Three Dimensional ◽  
Aromatic Rings ◽  
Tert Butyl ◽  
Compound C ◽  
Π Stacking ◽  
Dimensional Network

In the title compound, C18H18N2O4S, the dihedral angle between the aromatic rings is 33.71 (9)° and an intramolecular C—H...O hydrogen bond closes anS(6) ring. In the crystal, molecules are linked by C—H...O and C—H...N hydrogen bonds to generate a three-dimensional network. A very weak aromatic π–π stacking interction is also observed [centroid–centroid separation = 3.9524 (10) Å].

scholarly journals tert-Butyl 3-amino-5-bromo-1H-indazole-1-carboxylate

IUCrData ◽  
2021 ◽  
Vol 6 (7) ◽  
Author(s):  
Aravazhi Amalan Thiruvalluvar ◽  
Raviraj Kusanur ◽  
Makuteswaran Sridharan
Keyword(s):  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
Three Dimensional ◽  
Stacking Interactions ◽  
Tert Butyl ◽  
Compound C ◽  
Π Stacking ◽  
Dimensional Network ◽  
Benzene Rings

In the title compound, C12H14BrN3O2, the pyrazole and benzene rings are nearly co-planar with a dihedral angle between the rings of 2.36 (5)°. In the crystal, inversion dimers linked by pairwise N—H...N hydrogen bonds generate R 2 2(8) loops. The dimers are linked into a three-dimensional network by weak aromatic π–π stacking interactions [centroid–centroid separation = 3.7394 (6) Å] and C—H...O and C—H...Br hydrogen bonds.

scholarly journals Methyl 2,4-dihydroxy-5-(4-nitrobenzamido)benzoate

2013 ◽  
Vol 69 (2) ◽  
pp. o207-o207
Author(s):  
Syeda Sohaila Naz ◽  
Nazar Ul Islam ◽  
M. Nawaz Tahir ◽  
Muhammad Raza Shah
Keyword(s):  
Hydrogen Bonds ◽  
Nitro Group ◽  
Dihedral Angle ◽  
Title Compound ◽  
Three Dimensional ◽  
Aromatic Rings ◽  
Compound C ◽  
Dimensional Network

In the title compound, C15H12N2O7, the dihedral angle between the aromatic rings is 4.58 (13)° and the nitro group is rotated from its attached ring by 18.07 (17)°. Intramolecular N—H...O and O—H...O hydrogen bonds generateS(5) andS(6) rings, respectively. In the crystal, molecules are linked by O—H...O hydrogen bonds, generating [001]C(7) chains. The chains are linked by C—H...O interactions, forming a three-dimensional network, which incorporatesR22(7) andR22(10) loops.

scholarly journals Crystal structure of 4-chloro-2-{(E)-[(3,4-dimethylphenyl)imino]methyl}phenol

2015 ◽  
Vol 71 (6) ◽  
pp. o416-o416 ◽  
Author(s):  
Muhammad Salim ◽  
Muhammad Nawaz Tahir ◽  
Munawar Ali Munawar ◽  
Muhammad Shahid ◽  
Hazoor Ahmad Shad
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Dihedral Angle ◽  
Title Compound ◽  
Three Dimensional ◽  
Aromatic Rings ◽  
Acta Cryst ◽  
Π Interactions ◽  
Compound C ◽  
Dimensional Network

In the title compound, C15H14ClNO, which is isostructural with its bromo analogue [Tahiret al.(2012).Acta Cryst., E68, o2730], the dihedral angle between the planes of the aromatic rings is 2.71 (7)° and an intramolecular O—H...N hydrogen bond closes anS(6) ring. In the crystal, extremely weak C—H...π interactions link the molecules into a three-dimensional network.

scholarly journals Redetermined structure of oxaline: absolute configuration using Cu Kα radiation

2012 ◽  
Vol 68 (6) ◽  
pp. o1626-o1626 ◽  
Author(s):  
Peng Qu ◽  
Zhi-Yong Wu ◽  
Wei-Ming Zhu
Keyword(s):  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Absolute Configuration ◽  
Title Compound ◽  
Three Dimensional ◽  
Compound C ◽  
Dimensional Network ◽  
Absolute Structure ◽  
Atomic Coordinates

In the title compound, C24H25N5O4, the stereogenic C atom bonded to three N atoms and one C atom has an S configuration and its directly bonded neighbour has an R configuration. An intramolecular N—H...O hydrogen bond supports the near coplanarity of the two C3N2-five-membered rings [dihedral angle = 5.64 (10)°]. In the crystal, molecules are linked by N—H...N hydrogen bonds, forming a C(8) chain propagating in [001]. The chains are connected by C—H...O interactions, generating a three-dimensional network. The previous study [Nagel et al. (1974). Chem. Commun. pp. 1021–1022] did not establish the absolute structure and no atomic coordinates were published or deposited.

scholarly journals N′-[(E)-3-Bromobenzylidene]pyrazine-2-carbohydrazide

2013 ◽  
Vol 69 (11) ◽  
pp. o1635-o1635 ◽  
Author(s):  
Mushtaq Ahmad ◽  
Shahid Hameed ◽  
M. Nawaz Tahir ◽  
Muhammad Anwar ◽  
Muhammad Israr
Keyword(s):  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
Aromatic Rings ◽  
Compound C ◽  
Π Stacking

In the title compound, C12H9BrN4O, the dihedral angle between the aromatic rings is 12.16 (12)°. An intramolecular N—H...N hydrogen bond closes anS(5) ring. In the crystal, C—H...O hydrogen bonds link the molecules intoC(6) chains propagating in [010]. Very weak aromatic π–π stacking [centroid–centroid separations = 3.9189 (15) and 3.9357 (15) Å] is also observed.

scholarly journals 4,4′-(1,2-Diazaniumylethane-1,2-diyl)dibenzoate trihydrate

IUCrData ◽  
2016 ◽  
Vol 1 (2) ◽  
Author(s):  
Takashi Numata ◽  
Shun Ikenomoto ◽  
Takashiro Akitsu
Keyword(s):  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
Three Dimensional ◽  
Aromatic Rings ◽  
Compound C ◽  
Carboxylate Groups ◽  
Dimensional Network ◽  
Protonated Amine ◽  
Amine Groups

The title compound, C16H16N2O4·3H2O, was synthesized from (1R,2R)-1,2-bis(2-hydroxyphenyl)ethylenediamine and terephthalaldehydic acid. The compound crystallizes from water as a double zwitterion with protonated amine groups and deprotonated carboxylate groups. The dihedral angle formed by the aromatic rings is 3.86 (11)°. In the crystal, N—H...O and O—H...O hydrogen bonds link molecules into a three-dimensional network.

scholarly journals 1-(3-Methoxyphenyl)-2-(phenylsulfonyl)ethan-1-one

2012 ◽  
Vol 68 (8) ◽  
pp. o2562-o2562 ◽  
Author(s):  
Sammer Yousuf ◽  
Sarosh Iqbal ◽  
Nida Ambreen ◽  
Khalid M. Khan
Keyword(s):  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
Three Dimensional ◽  
Stacking Interactions ◽  
Compound C ◽  
Π Stacking ◽  
Dimensional Network ◽  
Phenyl Rings

In the title compound, C15H14O4S, the dihedral angle between the benzene and phenyl rings is 88.74 (10)°. In the crystal, molecules are linked into a three-dimensional network by C—H...O hydrogen bonds and π–π stacking interactions [centroid–centroid distances = 3.6092 (13)–3.8651 (13) Å].

scholarly journals 1-(3-Phenyl-1H-pyrazol-5-yl)-1,2,3,4-tetrahydroquinoxaline-2,3-dione

IUCrData ◽  
2017 ◽  
Vol 2 (2) ◽  
Author(s):  
Joseph Tene Ghomsi Nathan ◽  
Noureddine Hamou Ahabchane ◽  
Nada Kheira Sebbar ◽  
El Mokhtar Essassi ◽  
Joel T. Mague
Keyword(s):  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
Phenyl Ring ◽  
Three Dimensional ◽  
Pyrazole Ring ◽  
Compound C ◽  
Π Stacking ◽  
Dimensional Network ◽  
The Mean

In the title compound, C17H12N4O2, the mean plane of the pyrazole ring is nearly perpendicular to that of the tetrahydroquinoxalinedione moiety [dihedral angle = 86.92 (7)°]. The phenyl ring is disordered over two orientations in a 0.556 (4):0.444 (4) ratio. In the crystal, molecules are connected by bifurcated N—H...(N,O) and N—H...(O,O) hydrogen bonds, generating (100) sheets. Aromatic π–π stacking [shortest centroid–centroid separation = 3.5307 (8) Å] links the sheets into a three-dimensional network. A short N...O contact [2.8198 (19) Å] is present.

scholarly journals 2-Methoxy-6-(6-methyl-1H-benzimidazol-2-yl)phenol

2009 ◽  
Vol 65 (6) ◽  
pp. o1256-o1256 ◽  
Author(s):  
Hui-Quan Xiao ◽  
Ming-Zhu Zhang ◽  
Wei Wang
Keyword(s):  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Network Structure ◽  
Title Compound ◽  
Three Dimensional ◽  
Methyl Group ◽  
Compound C ◽  
Dimensional Network

The molecule of the title compound, C15H14N2O2is almost planar, the dihedral angle between the 6-methyl-1H-benzimidazole plane and the 2-methoxyphenol plane being 6.9 (2)°. An intramolecular O—H...N hydrogen bond is present. Adjacent molecules are linked by N—H...O hydrogen bonds into a three-dimensional network structure. The benzoimidazole methyl group and its attached C atom are positionally disordered in a 0.724 (4):0.276 (4) ratio.

scholarly journals 5-[(2-Methyl-4-nitro-1H-imidazol-1-yl)methyl]-1,3,4-thiadiazol-2-amine

2013 ◽  
Vol 69 (12) ◽  
pp. o1825-o1825
Author(s):  
M. K. Usha ◽  
S. Madan Kumar ◽  
H. S. Vidyashree Jois ◽  
B. Kalluraya ◽  
N. K. Lokanath ◽  
...  
Keyword(s):  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
Three Dimensional ◽  
Compound C ◽  
Π Stacking ◽  
Dimensional Network ◽  
Centroid Distance

In the title compound, C7H8N6O2S, the dihedral angle between the imidazole and thiadiazole rings is 70.86 (15)°. In the crystal, molecules are linked into [10-1] chains by N—H...N hydrogen bonds, which incorporate centrosymmetricR22(8) andR22(18) loops. The chains are linked by C—H...O and C—H...N interactions, generating a three-dimensional network. Very weak π–π stacking [centroid–centroid distance = 3.901 (17) Å] is also observed.

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