scholarly journals 4-[(5-Chloro-2-hydroxybenzylidene)amino]-3-ethyl-1H-1,2,4-triazole-5(4H)-thione

2014 ◽  
Vol 70 (5) ◽  
pp. o574-o575
Author(s):  
Cai-Xia Yuan ◽  
Xu-Mei Yao ◽  
Miao-Li Zhu ◽  
Hong-Mei Zhu
Keyword(s):  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Dihedral Angles ◽  
Stacking Interactions ◽  
Asymmetric Unit ◽  
Compound C ◽  
Π Stacking ◽  
Benzene Rings

The title compound, C11H11ClN4OS, crystallizes with two molecules,AandB, in the asymmetric unit in which the dihedral angles between the triazole and benzene rings are 54.6 (3) and 56.0 (3)°. Both molecules feature an intramolecular O—H...N hydrogen bond, which generates anS(6) ring. In the crystal,A–Bdimers are linked by pairs of weak C—H...S hydrogen bonds along with π–π stacking interactions between the triazole rings [centroid–centroid separations = 3.631 (3) and 3.981 (4)Å]. N—H...S hydrogen bonds link the dimers into [100] chains, which featureR22(8) loops.

scholarly journals 2,4-Dibromo-6-[(2-hydroxy-5-methylanilino)methylidene]cyclohexa-2,4-dienone

IUCrData ◽  
2018 ◽  
Vol 3 (3) ◽  
Author(s):  
Tarun Kumar Pal ◽  
Md Dulal Hossain ◽  
Md Chanmiya Sheikh ◽  
Ryuta Miyatake ◽  
Md Ashraful Alam
Keyword(s):  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Dihedral Angles ◽  
Asymmetric Unit ◽  
Compound C ◽  
Benzene Rings ◽  
Independent Molecules ◽  
Ring Motif

The new bromo-substituted title compound, C14H11Br2NO2, was synthesized by the condensation of 3,5-dibromosalicylaldehyde and 2-amino-4-methyl phenol. The asymmetric unit consists of two crystallographically independent molecules (AandB), which are related to each other by a pseudo-inversion centre. Both molecules are almost planar; dihedral angles between the two benzene rings are 11.40 (11)° forAand 3.05 (12)° forB. In each molecule, there is an intramolecular N—H...O hydrogen bond with anS(6) ring motif. In the crystal, two independent molecules are linked by O—H...O hydrogen bonds, forming a pseudo-inversionA–Bdimer.

scholarly journals N-[(2-Chlorophenyl)sulfonyl]-2-methoxybenzamide

2013 ◽  
Vol 69 (11) ◽  
pp. o1716-o1716
Author(s):  
S. Sreenivasa ◽  
B. S. Palakshamurthy ◽  
E Suresha ◽  
J. Tonannavar ◽  
Yenagi Jayashree ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Three Dimensional ◽  
Dihedral Angles ◽  
Stacking Interactions ◽  
Asymmetric Unit ◽  
Compound C ◽  
Benzene Rings ◽  
Ring Motif

The title compound, C14H12ClNO4S, crystallizes with two molecules in the asymmetric unit. The dihedral angles between the benzene rings are 89.68 (1) (molecule 1) and 82.9 (1)° (molecule 2). In each molecule, intramolecular N—H...O hydrogen bonds between the amide H atom and the methoxy O atom generateS(6) loops. In the crystal, molecule 2 is linked into inversion dimers through pairs of C—H...O interactions, forming anR22(8) ring motif. Molecules 1 and 2 are further linked along theb-axis direction through C—H...π interactions. The crystal structure is further stabilized by several π–π stacking interactions [centroid–centroid separations = 3.7793 (1), 3.6697 (1) and 3.6958 (1) Å], thus generating a three-dimensional architecture.

scholarly journals 4-[(5-Bromo-2-hydroxybenzylidene)amino]-3-propyl-1H-1,2,4-triazole-5(4H)-thione

2012 ◽  
Vol 68 (6) ◽  
pp. o1674-o1674 ◽  
Author(s):  
Xin Wu ◽  
Cai-Xia Yuan ◽  
Ling Ma ◽  
Kai-Lu Zhai ◽  
Miao-Li Zhu
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Title Compound ◽  
Dihedral Angles ◽  
Asymmetric Unit ◽  
Compound C ◽  
Π Stacking ◽  
Centroid Distance ◽  
Benzene Rings ◽  
Independent Molecules

The asymmetric unit of the title compound, C12H13BrN4OS, contains two independent molecules in which the dihedral angles between the triazole and benzene rings are 2.9 (3) and 7.5 (3)°. The thione group is of the form R 2C=S. An intramolecular O—H...N hydrogen bond occurs in each molecule. The crystal structure features weak N—H...S interactions and π–π stacking of the benzene rings [centroid–centroid distance = 3.667 (3) Å].

scholarly journals 4-Chloro-N′-(3,5-dibromo-2-hydroxybenzylidene)benzohydrazide

2012 ◽  
Vol 68 (4) ◽  
pp. o1209-o1209
Author(s):  
Wei-Guang Zhang
Keyword(s):  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Dihedral Angles ◽  
Asymmetric Unit ◽  
Compound C ◽  
Benzene Rings ◽  
Independent Molecules

The asymmetric unit of the title compound, C14H9Br2ClN2O2, contains two independent molecules. Both molecules adopt anEconfiguration about the C=N bond. The dihedral angles between the benzene rings are 30.0 (2) and 51.6 (2)° in the two molecules. In the crystal, molecules are linked through N—H...O hydrogen bonds, forming chains along thebaxis. In addition, there is an intramolecular O—H...N hydrogen bond in each molecule.

scholarly journals (Pyridin-2-yl)methyl 6-bromo-2-oxo-1-[(pyridin-2-yl)methyl]-1,2-dihydroquinoline-4-carboxylate

IUCrData ◽  
2018 ◽  
Vol 3 (2) ◽  
Author(s):  
Yassir Filali Baba ◽  
Youssef Kandri Rodi ◽  
Joel T. Mague ◽  
Younes Ouzidan ◽  
Fouad Ouazzani Chahdi ◽  
...  
Keyword(s):  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Ring System ◽  
Stacking Interactions ◽  
Axis Direction ◽  
Compound C ◽  
Π Stacking ◽  
Centroid Distance ◽  
Benzene Rings

In the central dihydroquinoline unit of the title compound, C22H16BrN3O3, the dihydropyridinone and benzene rings are inclined to one another by 2.0 (1)°, while the outer pyridine rings are almost perpendicular to the plane of the dihydroquinoline ring system. The conformation of the molecule is partially determined by an intramolecular C—H...O hydrogen bond. In the crystal, molecules stack along theb-axis direction through a combination of C—H...N and C—H...O hydrogen bonds and π–π stacking interactions involving the dihydroquinoline units, with a centroid-to-centroid distance of 3.7648 (15) Å.

scholarly journals N′-(5-Chloro-2-hydroxybenzylidene)-4-methoxybenzohydrazide

2012 ◽  
Vol 68 (4) ◽  
pp. o1079-o1079 ◽  
Author(s):  
Yao Tan
Keyword(s):  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Relative Orientation ◽  
Dihedral Angles ◽  
Asymmetric Unit ◽  
Compound C ◽  
Principal Difference ◽  
Benzene Rings

The asymmetric unit of the title compound, C15H13ClN2O3, contains two independent hydrazone molecules. Each molecule adopts anEconfiguration with respect to the methylidene unit and forms an intramolecular O—H...N hydrogen bond. The principal difference between the two unique molecules is the relative orientation of the two benzene rings, the dihedral angles between them being 4.0 (3) and 65.9 (3)°, respectively. In the crystal, molecules are linked through N—H...O hydrogen bonds, forming chains running along thecaxis.

scholarly journals (E)-N-(4-{[1-(Prop-2-en-1-yl)-1H-1,2,3-triazol-4-yl]methoxy}benzylidene)morpholin-4-amine

2014 ◽  
Vol 70 (3) ◽  
pp. o289-o290 ◽  
Author(s):  
Mehmet Akkurt ◽  
Aliasghar Jarrahpour ◽  
Mehdi Mohammadi Chermahini ◽  
Pezhman Shiri ◽  
Namık Özdemir
Keyword(s):  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Site Occupancy ◽  
Dihedral Angles ◽  
Stacking Interactions ◽  
Independent Molecule ◽  
Asymmetric Unit ◽  
Compound C ◽  
Benzene Rings ◽  
Independent Molecules

The asymmetric unit of the title compound, C17H21N5O2, contains two crystallographically independent molecules, which are linked by a C—H...N hydrogen bond. The morpholine rings of both molecules adopt distorted chair conformations. The dihedral angles between the triazole and benzene rings are 12.8 (3)° in the first independent molecule in which the –N=C– group between the morpholine and benzene rings is disordered [site-occupancy ratio = 0.576 (7):0.424 (7)] and 88.1 (2)° in the second independent molecule. In the crystal, molecules are linked by C—H...N hydrogen bonds along the [100] direction. In addition, one weak C—H...π interaction and two weak π–π stacking interactions [centroid–centroid distances = 3.840 (3) and 3.823 (2) Å] between the triazole rings of adjacent molecules are observed. The atoms of the terminal propenyl groups in both molecules are disordered over two sets of sites [site-occupancy ratios = 0.691 (10):0.309 (10) and 0.705 (15):0.295 (15)].

scholarly journals 4-[(5-Bromo-2-hydroxybenzylidene)amino]-3-ethyl-1H-1,2,4-triazole-5(4H)-thione

2014 ◽  
Vol 70 (8) ◽  
pp. o881-o882
Author(s):  
Cai-Xia Yuan ◽  
Shu-Fen Lan ◽  
Xin-Yu Liu ◽  
Miao-Li Zhu
Keyword(s):  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Dihedral Angles ◽  
Asymmetric Unit ◽  
Π Interactions ◽  
Compound C ◽  
Centroid Distance ◽  
Benzene Rings ◽  
Independent Molecules

The title compound, C11H11BrN4OS, crystallized as a racemic twin with two symmetry-independent molecules in the asymmetric unit. The dihedral angles between the benzene and triazole rings of the two independent molecules are 56.41 (18) and 54.48 (18)°. An intramolecular O—H...N hydrogen bond occurs in each molecule. In the crystal, pairs of symmetry-independent molecules are linked by pairs of almost linear N—H...S hydrogen bonds, forming cyclic dimers characterized by anR22(8) motif. There are weak π–π interactions between the benzene rings of symmetry-independent molecules, with a centroid–centroid distance of 3.874 (3) Å.

scholarly journals Crystal structure of 1,3-bis{[4-(acetylsulfanyl)phenyl]ethynyl}azulene

2015 ◽  
Vol 71 (12) ◽  
pp. o1099-o1100
Author(s):  
Sebastian Förster ◽  
Wilhelm Seichter ◽  
Edwin Weber
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Ring System ◽  
Dihedral Angles ◽  
Stacking Interactions ◽  
Compound C ◽  
Π Stacking ◽  
Benzene Rings

In the title compound, C30H20O2S2, the dihedral angles between the central azulene ring system (r.m.s. deviation = 0.039 Å) and the pendant benzene rings are 28.96 (7) and 55.15 (7)°. The dihedral angles between the benzene rings and their attached acetylsulfanyl groups are 59.60 (10) and 84.79 (10)°. The expected π–π stacking interactions are not observed in the crystal structure; instead, the packing features C—H...O hydrogen bonds, which link the molecules intoC(12) [010] chains, which are supported by weak C—H...π contacts.

scholarly journals Crystal structure of (4Z)-4-[(2E)-3-(4-chlorophenyl)-1-hydroxyprop-2-en-1-ylidene]-5-methyl-2-phenyl-1H-pyrazol-5(4H)-one

2015 ◽  
Vol 71 (6) ◽  
pp. o393-o394
Author(s):  
Muhammad Shahid ◽  
Munawar Ali Munawar ◽  
Muhammad Nawaz Tahir ◽  
Muhammad Salim ◽  
Khizar Iqbal Malik
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Title Compound ◽  
Dihedral Angles ◽  
Stacking Interactions ◽  
Asymmetric Unit ◽  
Compound C ◽  
Π Stacking ◽  
Independent Molecules ◽  
Centrosymmetric Dimers

In the the asymmetric unit of the title compound, C19H15ClN2O2, there are two symmetry-independent molecules, which adopt similar conformations. The largest difference is observed in the dihedral angles between the phenyl and the pyrazole fragments [17.00 (12) and 23.42 (10)°]. A strong intramolecular O—H...O hydrogen bond with theS(6) motif is observed in both molecules. Pairs of π–π stacking interactions between the phenyl groups [centroid–centroid distances = 3.6627 (13) and 3.7156 (14) Å] assemble the molecules into two types of centrosymmetric dimers. Weak C—H...O interactions connect molecules into chains along thebaxis.

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