scholarly journals Crystal structure ofN-carbamothioyl-2-methylbenzamide

2015 ◽  
Vol 71 (6) ◽  
pp. o425-o425 ◽  
Author(s):  
Farook Adam ◽  
Nadiah Ameram ◽  
Wai Mun Tan
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Aromatic Ring ◽  
Dihedral Angle ◽  
Title Compound ◽  
The Other ◽  
Asymmetric Unit ◽  
Compound C

There are two molecules in the asymmetric unit of the title compound, C9H10N2OS. In one, the dihedral angle between the aromatic ring and the carbamothioyl group is 52.31 (7)° and in the other it is 36.16 (6)°. Each molecule features an intramolecular N—H...O hydrogen bond, which generates anS(6) ring and the O and S atoms have anantidisposition. In the crystal, molecules are linked by N—H...S and N—H...O hydrogen bonds, generating separate [130] and [1-30] infinite chains. Weak C—H...O and C—H...S interactions are also observed.

scholarly journals Crystal structure of 4-[(E)-(4-fluorobenzylidene)amino]-3-methyl-1H-1,2,4-triazole-5(4H)-thione

2015 ◽  
Vol 71 (12) ◽  
pp. o912-o913 ◽  
Author(s):  
P. S. Manjula ◽  
B. K. Sarojini ◽  
B. Narayana ◽  
K. Byrappa ◽  
S. Madan Kumar
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
Asymmetric Unit ◽  
Compound C ◽  
Π Stacking

The title compound, C10H9FN4S, crystallizes with two molecules (AandB) in the asymmetric unit. The dihedral angle between the planes of the trizole and fluorobenzene rings is 7.3 (3)° in moleculeAand 41.1 (3)° in moleculeB. MoleculeAfeatures an intramolecular C—H...S hydrogen bond, which closes anS(6) ring. In the crystal,A+Bdimers linked by pairs of N—H...S hydrogen bonds occur, generatingR22(8) loops. Weak π–π stacking contacts [centroid–centroid separation = 3.739 (6) Å] are also observed.

scholarly journals Crystal structure of 1-(4-formylbenzylidene)thiosemicarbazone

2014 ◽  
Vol 70 (9) ◽  
pp. o970-o970 ◽  
Author(s):  
Rosa Carballo ◽  
Arantxa Pino-Cuevas ◽  
Ezequiel M. Vázquez-López
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
The Other ◽  
Asymmetric Unit ◽  
Compound C ◽  
Planar Molecules ◽  
Discrete Networks

The asymmetric unit of the title compound, C9H9N3OS, contains two approximately planar molecules (r.m.s. deviations for 14 non-H atoms = 0.094 and 0.045 Å), with different conformations. In one of them, the C=O group issynto the S atom and in the other it isanti. Each molecule features an intramolecular N—H...N hydrogen bond, which generates anS(5) ring. In the crystal, molecules are linked by N—H...O and N—H...S hydrogen bonds, generating discrete networks; thesynmolecules form [010] chains and theantimolecules form (100) sheets.

scholarly journals Crystal structure of allylammonium hydrogen succinate at 100 K

2014 ◽  
Vol 70 (9) ◽  
pp. o917-o918 ◽  
Author(s):  
Błażej Dziuk ◽  
Bartosz Zarychta ◽  
Krzysztof Ejsmont
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Torsion Angle ◽  
Title Compound ◽  
The Other ◽  
Dihedral Angles ◽  
Asymmetric Unit ◽  
Compound C

The asymmetric unit of the title compound, C2H8N+·C4H5O4−, consists of two allylammonium cations and two hydrogen succinate anions (Z′ = 2). One of the cations has a near-perfectsyn-periplanar (cis) conformation with an N—C—C—C torsion angle of 0.4 (3)°, while the other is characterized by agaucheconformation and a torsion angle of 102.5 (3)°. Regarding the anions, three out of four carboxilic groups are twisted with respect to the central C–CH2–CH2–C group [dihedral angles = 24.4 (2), 31.2 (2) and 40.4 (2)°], the remaining one being instead almost coplanar, with a dihedral angle of 4.0 (2)°. In the crystal, there are two very short, near linear O—H...O hydrogen bonds between anions, with the H atoms shifted notably from the donor O towards the O...O midpoint. These O—H...O hydrogen bonds form helical chains along the [011] which are further linked to each other through N—H...O hydrogen bonds (involving all the available NH groups), forming layers lying parallel to (100).

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 7,7′,8,8′-Tetramethoxy-4,4′-dimethyl-3,3′-bicoumarin

2009 ◽  
Vol 65 (6) ◽  
pp. o1294-o1295
Author(s):  
Hoong-Kun Fun ◽  
Samuel Robinson Jebas ◽  
Mehtab Parveen ◽  
Zakia Khanam ◽  
Raza Murad Ghalib
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
Rotation Axis ◽  
The Other ◽  
Asymmetric Unit ◽  
Compound C ◽  
Related Part ◽  
Methoxy Groups

In the crystal structure, the title compound, C24H22O8, lies on a twofold rotation axis and the asymmetric unit comprises one half-molecule. The dihedral angle formed by the coumarin unit with the symmetry-related part is 74.78 (14)°. One of the methoxy groups attached to the coumarin unit is considerably twisted, making an angle of 87.17 (17)° with respect to the coumarin unit; the other is twisted by 0.66 (19)°. No classical hydrogen bonds are found in the sturcture; only a weak C—H...π interaction and short intramolecular O...O contacts [2.683 (2)–2.701 (2) Å] are observed.

scholarly journals Crystal structure of 3-[(E)-(2-hydroxy-3-methoxybenzylidene)amino]-1-methyl-1-phenylthiourea

2016 ◽  
Vol 72 (5) ◽  
pp. 608-611
Author(s):  
Rajeswari Gangadharan ◽  
Mathiyan Muralisankar ◽  
Anandaram Sreekanth ◽  
Abdullakutty Anees Rahman ◽  
K. Sethusankar
Keyword(s):  
Molecular Structure ◽  
Crystal Structure ◽  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
Asymmetric Unit ◽  
Compound C ◽  
Benzene Rings ◽  
Independent Molecules

In the asymmetric unit of the title compound, C16H17N3O2S, there are two independent molecules (AandB), which show anEconformation with respect to the C=N bond. An intramolecular O—H...N hydrogen bond with anS(6) motif stabilizes the molecular structure. The terminal phenyl and benzene rings are almost orthogonal to each other, the dihedral angle being 87.47 (13)° for moleculeAand 89.86 (17)° for moleculeB. In the crystal, weak bifurcated N—H...(O,O) hydrogen bonds link the two independent molecules, forming a supramolecular chain with aC21(14)[R21(5)] motif along thebaxis. A weak C—H...O interaction is also observed in the chain.

scholarly journals Crystal structure of 1-benzoyl-3-(4-fluorophenyl)thiourea

2014 ◽  
Vol 70 (9) ◽  
pp. o1023-o1024
Author(s):  
Rabab Sharaf Jassas ◽  
Abdullah M. Asiri ◽  
Muhammad Nadeem Arshad ◽  
Mohie E. M. Zayed ◽  
Ghulam Mustafa
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
Dihedral Angles ◽  
Asymmetric Unit ◽  
Compound C

The title compound, C14H11FN2OS, contains two molecules (AandB) in the asymmetric unit, with different conformations. In moleculeA, the dihedral angles between the central thiourea grouping and the phenyl and fluorobenzene rings are 28.77 (8) and 41.82 (8)°, respectively, and the dihedral angle between the ring planes is 70.02 (9)°. Equivalent data for moleculeBare 8.46 (8), 47.78 (8) and 52.99 (9)°, respectively. Both molecules feature an intramolecular N—H...O hydrogen bond, which closes anS(6) ring. In the crystal,A+Bdimers linked by pairs of N—H...S hydrogen bonds generateR22(8) loops.

scholarly journals Crystal structure of (2E)-2-methoxyimino-2-{2-[(2-methylphenoxy)methyl]phenyl}-N′-(4-nitrobenzylidene)ethanohydrazide

2015 ◽  
Vol 71 (4) ◽  
pp. 377-379 ◽  
Author(s):  
Chetan Shrimandhar Shripanavar ◽  
Ray J. Butcher
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
Central Core ◽  
Asymmetric Unit ◽  
Axis Direction ◽  
Compound C ◽  
Methyl Phenyl

The title compound, C24H22N4O5, crystallizes with two molecules in the asymmetric unit (Z′ = 2) oriented almost perpendicular to each other [dihedral angle between the central core of each molecule = 77.95 (3)°]. The two molecules exhibit similar conformations with an extended structure. An intramolecular C—H...N hydrogen bond occurs in each molecule. The two molecules are linked by a bifurcated N—H...(O,N) hydrogen bond involving the NH group in moleculeAas donor. They are further linked into a ribbon along thea-axis direction by further bifurcated N—H...(O,N) hydrogen bonds involving the NH group in moleculeBas donor. C—H...O interactions are also observed.

4-(Acetylaminomethyl)-1-methylpyridinium iodide

2007 ◽  
Vol 63 (11) ◽  
pp. o4278-o4278
Author(s):  
Alexandra M. Z. Slawin ◽  
William T. A. Harrison
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Aromatic Ring ◽  
Dihedral Angle ◽  
Title Compound ◽  
Compound C ◽  
Acetyl Group

In the title compound, C9H13N2O+·I−, the dihedral angle between the aromatic ring and the N-acetyl group is 73.93 (8)°. In the crystal structure, the cation and anion interact by way of an N—H...I hydrogen bond.

1-Benzoyl-3-(4-chlorophenyl)thiourea

2006 ◽  
Vol 62 (4) ◽  
pp. o1419-o1420 ◽  
Author(s):  
M. Khawar Rauf ◽  
Amin Badshah ◽  
Ulrich Flörke ◽  
Aamer Saeed
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Aromatic Ring ◽  
Dihedral Angle ◽  
Title Compound ◽  
Crystal Packing ◽  
Compound C

In the crystal structure of the title compound, C14H11ClN2OS, the dihedral angle between the two aromatic ring planes is 43.93 (6)°. The crystal packing shows dimers formed by intermolecular N—H...S hydrogen bonds which are stacked along [100].

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