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

2014 ◽  
Vol 70 (2) ◽  
pp. o181-o181 ◽  
Author(s):  
Hakima Chicha ◽  
El Mostapha Rakib ◽  
Ouafa Amiri ◽  
Mohamed Saadi ◽  
Lahcen El Ammari
Keyword(s):  
Hydrogen Bonds ◽  
Benzene Ring ◽  
Dihedral Angle ◽  
Title Compound ◽  
Ring System ◽  
The Other ◽  
Asymmetric Unit ◽  
Compound C ◽  
Independent Molecules

The asymmetric unit of the title compound, C15H14ClN3O2S, contains two independent molecules showing different conformations: in one molecule, the indazole ring system makes a dihedral angle of 51.5 (1)° with the benzene ring whereas in the other, the indazole unit is almost perpendicular to the benzene ring [dihedral angle 77.7 (1)°]. In the crystal, the molecules are linked by N—H...N and N—H...O hydrogen bonds, forming a set of four molecules linked in pairs about an inversion centre.

scholarly journals 2-(1,3-Benzodioxol-5-yl)-1H-benzimidazole

2014 ◽  
Vol 70 (2) ◽  
pp. o157-o157
Author(s):  
Nadir Ghichi ◽  
Mohamed Amine Benaouida ◽  
Ali Benosmane ◽  
Ali Benboudiaf ◽  
Hocine Merazig
Keyword(s):  
Hydrogen Bonds ◽  
Benzene Ring ◽  
Title Compound ◽  
Ring System ◽  
The Other ◽  
Dihedral Angles ◽  
Asymmetric Unit ◽  
Compound C ◽  
The Mean ◽  
Independent Molecules

The asymmetric unit of the title compound, C14H10N2O2, contains two independent molecules. In each molecule, the benzodioxole ring system displays an envelope conformation, with the methylene C atom located at the flap deviating by 0.081 (2) and 0.230 (2) Å from the mean plane formed by the other atoms. The dihedral angles between the benzoimidazole ring system (all atoms) and the benzodioxole benzene ring are 15.35 (6) and 10.99 (7)°. In the crystal, molecules are linked by N—H...N hydrogen bonds into chains running along the [101].

scholarly journals Methyl 2-(4-methoxy-3-nitrobenzamido)acetate

2012 ◽  
Vol 68 (8) ◽  
pp. o2343-o2343
Author(s):  
Xin Zhu ◽  
Qiujuan Ma
Keyword(s):  
Hydrogen Bonds ◽  
Benzene Ring ◽  
Dihedral Angle ◽  
Title Compound ◽  
The Other ◽  
Asymmetric Unit ◽  
Compound C ◽  
Independent Molecules ◽  
A Chain

The title compound, C11H12N2O6, crystallizes with two independent molecules in the asymmetric unit, which differ slightly in conformation. The dihedral angle between the amide O=C—N plane and the attached benzene ring is 19.5 (3)° in one molecule and 23.4 (3)° in the other. In the crystal, the two independent molecules are connected alternately by N—H...O hydrogen bonds, forming a chain along theaaxis.

scholarly journals 1-(2,4-Difluorophenyl)thiourea

2012 ◽  
Vol 68 (8) ◽  
pp. o2460-o2460 ◽  
Author(s):  
Hoong-Kun Fun ◽  
Ching Kheng Quah ◽  
Prakash S. Nayak ◽  
B. Narayana ◽  
B. K. Sarojini
Keyword(s):  
Hydrogen Bonds ◽  
Benzene Ring ◽  
Dihedral Angle ◽  
Title Compound ◽  
The Other ◽  
Two Dimensional ◽  
Asymmetric Unit ◽  
Compound C ◽  
Independent Molecules

The asymmetric unit of the title compound, C7H6F2N2S, consists of two independent molecules, with comparable geometries. In one molecule, the thiourea moiety is essentially planar (r.m.s. deviation = 0.014 Å) and it forms a dihedral angle of 78.67 (9)° with the benzene ring. The corresponding r.m.s. deviation and dihedral angle for the other molecule are 0.011 Å and 81.71 (8)°, respectively. In both molecules, one of the F atoms is disordered over two positions with refined site occupancies of 0.572 (3):0.428 (3) and 0.909 (2):0.091 (2), respectively. In the crystal, molecules are linkedviaN—H...S and C—H...F hydrogen bonds into two-dimensional networks parallel to (010).

scholarly journals 1-(6-Fluoro-1,3-benzothiazol-2-yl)-2-(1-phenylethylidene)hydrazine

2012 ◽  
Vol 68 (8) ◽  
pp. o2438-o2439 ◽  
Author(s):  
Hoong-Kun Fun ◽  
Ching Kheng Quah ◽  
D. Munirajasekhar ◽  
M. Himaja ◽  
B. K. Sarojini
Keyword(s):  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Phenyl Ring ◽  
Three Dimensional ◽  
Ring System ◽  
The Other ◽  
Asymmetric Unit ◽  
Compound C ◽  
Dimensional Network ◽  
Independent Molecules

The asymmetric unit of the title compound, C15H12FN3S, consists of two independent molecules with comparable geometries. In one molecule, the 1,3-benzothiazole ring system (r.m.s. deviation = 0.011 Å) forms a dihedral angle of 19.86 (6)° with the phenyl ring. The corresponding r.m.s. deviation and dihedral angle for the other molecule are 0.014 Å and 22.32 (6)°, respectively. In the crystal, molecules are linkedviaN—H...N, C—H...F and C—H...N hydrogen bonds into a three-dimensional network. The crystal studied was a non-merohedral twin with a refined BASF value of 0.301 (2).

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

IUCrData ◽  
2019 ◽  
Vol 4 (10) ◽  
Author(s):  
Tarun Kumar Pal ◽  
Md Ashraful Alam ◽  
Md Dulal Hossain ◽  
Subrata Paul ◽  
Ryuta Miyatake ◽  
...  
Keyword(s):  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
The Other ◽  
Asymmetric Unit ◽  
Compound C ◽  
Centroid Distance ◽  
Benzene Rings ◽  
Independent Molecules

The title compound, C14H11Cl2NO2, has been prepared by the condensation of 3,5-dichlorosalicylaldehyde and 2-amino-4-methylphenol. The asymmetric unit consists of two independent molecules, both of which are almost planar; the dihedral angle between the two benzene rings is 10.61 (8)° for one molecule and 2.46 (8)° for the other. There is an intramolecular N—H...O hydrogen bond that generates S(6) ring motifs in each molecule. In the crystal, the two independent molecules are linked by O—H...O and C—H...Cl hydrogen bonds, forming a pseudo-inversion dimer. A π–π interaction, with a centroid–centroid distance of 3.6065 (12) Å, is also observed.

scholarly journals 2-{[(2-Methoxynaphthalen-1-yl)methyl]amino}phenol

IUCrData ◽  
2016 ◽  
Vol 1 (7) ◽  
Author(s):  
Sara Mahdjoub ◽  
Raouf Boulcina ◽  
Abdelmadjid Debache ◽  
Nadir Ghichi ◽  
Hocine Merazig
Keyword(s):  
Benzene Ring ◽  
Dihedral Angle ◽  
Title Compound ◽  
Ring System ◽  
Asymmetric Unit ◽  
Naphthalene Ring ◽  
Π Interactions ◽  
Compound C ◽  
Amino Phenol ◽  
Independent Molecules

The asymmetric unit of the title compound, C18H17NO2, contains two independent molecules (AandB). The dihedral angle between the naphthalene ring system and the benzene ring is 74.67 (10)° in moleculeAand 78.81 (9)° in moleculeB. In the crystal, molecules are linked by a series of C—H...π interactions, forming sheets parallel to theabplane.

9-(p-Tolylsulfonyl)-9H-carbazole

2006 ◽  
Vol 62 (4) ◽  
pp. o1539-o1540
Author(s):  
Ning Li ◽  
Peng-Mian Huang ◽  
Xiao-Li Xiong ◽  
Qiang Cai
Keyword(s):  
Crystal Structure ◽  
Benzene Ring ◽  
Dihedral Angle ◽  
Title Compound ◽  
Ring System ◽  
Asymmetric Unit ◽  
Compound C ◽  
Independent Molecules

Two independent molecules constitute the asymmetric unit of the title compound, C19H15NO2S, which was synthesized by N-alkylation of 4-methylbenzenesulfonyl chloride with carbazole. The carbazole ring system is essentially planar and forms a dihedral angle with the benzene ring of 85.1 (7)° [83.9 (7)° for the second molecule]. In the crystal structure, weak C—H...O interactions are observed.

scholarly journals MethylN-hydroxy-N-(2-methylphenyl)carbamate

2013 ◽  
Vol 69 (2) ◽  
pp. o230-o230
Author(s):  
Binbin Zhang ◽  
Yifeng Wang ◽  
Kun Dong ◽  
Danqian Xu
Keyword(s):  
Hydrogen Bonds ◽  
Benzene Ring ◽  
Title Compound ◽  
Dihedral Angles ◽  
Asymmetric Unit ◽  
Compound C ◽  
The Mean ◽  
Independent Molecules

There are three independent molecules in the asymmetric unit of the title compound, C9H11NO3, which are connected by O—H...O hydrogen bonds, forming anR33(15) ring. The dihedral angles between the planes of the benzene and amide groups are 75.16 (3), 71.47 (3) and 70.56 (3)°. The hydroxy O atom lies 0.912 (3), 1.172 (2) and 1.339 (2) Å from the mean plane of the corresponding benzene ring in the three molecules.

scholarly journals 1-[2,6-Dichloro-4-(trifluoromethyl)phenyl]-3,4-dimethylpyrano[2,3-c]pyrazol-6(1H)-one

2012 ◽  
Vol 68 (8) ◽  
pp. o2350-o2350
Author(s):  
Hoong-Kun Fun ◽  
Wan-Sin Loh ◽  
B. K. Sarojini ◽  
B. J. Mohan ◽  
B. Narayana
Keyword(s):  
Hydrogen Bonds ◽  
Benzene Ring ◽  
Dihedral Angle ◽  
Title Compound ◽  
Pyrazole Ring ◽  
Ring System ◽  
Helical Chain ◽  
Maximum Deviation ◽  
Compound C

In the title compound, C15H9Cl2F3N2O2, the 1,6-dihydropyrano[2,3-c]pyrazole ring system is almost planar, with a maximum deviation of 0.0226 (14) Å, and forms a dihedral angle of 69.90 (6)° with the benzene ring. In the crystal, molecules are linked into a helical chain along thecaxis by C—H...O hydrogen bonds.

scholarly journals 6-(Hex-5-enyloxy)naphthalene-2-carboxylic acid

2014 ◽  
Vol 70 (6) ◽  
pp. o696-o697
Author(s):  
Md. Lutfor Rahman ◽  
H. T. Srinivasa ◽  
Mashitah Mohd. Yusoff ◽  
Huey Chong Kwong ◽  
Ching Kheng Quah
Keyword(s):  
Crystal Structure ◽  
Carboxylic Acid ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Ring System ◽  
Dihedral Angles ◽  
Carbonyl Groups ◽  
Asymmetric Unit ◽  
Compound C ◽  
Independent Molecules

The asymmetric unit of the title compound, C17H18O3, comprises three independent molecules with similar geometries. In each molecule, the carbonyl group is twisted away from the napthalene ring system, making dihedral angles of 1.0 (2), 1.05 (19)° and 1.5 (2)°. The butene group in all three molecules are disordered over two sets of sites, with a refined occupancy ratio of 0.664 (6):0.336 (6). In the crystal, molecules are oriented with respect to their carbonyl groups, forming head-to-head dimersviaO—H...O hydrogen bonds. Adjacent dimers are further interconnected by C—H...O hydrogen bonds into chains along thea-axis direction. The crystal structure is further stabilized by weak C—H...π interactions.

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