scholarly journals 4-Bromothiobenzamide

2009 ◽  
Vol 65 (6) ◽  
pp. o1333-o1333 ◽  
Author(s):  
Mahmood-ul-Hassan Khan ◽  
Shahid Hameed ◽  
Tashfeen Akhtar ◽  
Jason D. Masuda
Keyword(s):  
Hydrogen Bonding ◽  
Aromatic Ring ◽  
Title Compound ◽  
Dihedral Angles ◽  
Amine Group ◽  
Asymmetric Unit ◽  
Compound C ◽  
Hydrogen Bonding Interactions

The title compound, C7H6BrNS, crystallizes with two molecules in the asymmetric unit. The dihedral angles between the aromatic ring and the thioamide fragment are 23.6 (4) and 20.5 (3)° in the two molecules. In the crystal, there are intermolecular N—H...S hydrogen-bonding interactions between the amine group and the S atoms.

2,4,6-Trimethylpyridine-3,5-dicarbonitrile

2006 ◽  
Vol 62 (7) ◽  
pp. o2765-o2767
Author(s):  
Hong-Li Wang ◽  
Bin Zhang ◽  
Yi Dai
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonding ◽  
Title Compound ◽  
Asymmetric Unit ◽  
Compound C ◽  
Hydrogen Bonding Interactions

The title compound, C10H9N3, is essently planar, except for the methyl H atoms. The asymmetric unit consists of two molecules. In the crystal structure, weak intramolecular C—H...N hydrogen-bonding interactions occur, linking the molecules into chains propagating along the a axis.

4,4′-Dibenzyl-5,5′-(pyridine-2,6-diyl)bis(3,4-dihydro-2H-1,2,4-triazole-3-thione)

2006 ◽  
Vol 62 (5) ◽  
pp. o1822-o1823
Author(s):  
Sibel Demir ◽  
Muharrem Dinçer ◽  
Ahmet Çetin ◽  
Osman Dayan ◽  
Ahmet Cansız
Keyword(s):  
Hydrogen Bonding ◽  
Title Compound ◽  
Tautomeric Form ◽  
Asymmetric Unit ◽  
Compound C ◽  
Hydrogen Bonding Interactions ◽  
Independent Molecules

The title compound, C23H19N7S2, adopts the ketoamine tautomeric form and displays C—H...N hydrogen-bonding interactions. There are two independent molecules in the asymmetric unit.

scholarly journals (3aR*,8bR*)-3a,8b-Dihydroxy-1-(4-methylphenyl)-2-methylsulfanyl-3-nitro-1,8b-dihydroindeno[1,2-b]pyrrol-4(3aH)-one

2014 ◽  
Vol 70 (3) ◽  
pp. o279-o280
Author(s):  
R. A. Nagalakshmi ◽  
J. Suresh ◽  
R. Ranjith Kumar ◽  
V. Jeyachandran ◽  
P. L. Nilantha Lakshman
Keyword(s):  
Hydrogen Bonding ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Three Dimensional ◽  
Dihedral Angles ◽  
Asymmetric Unit ◽  
Compound C ◽  
Dimensional Network ◽  
Independent Molecules ◽  
Hydroxy Groups

The asymmetric unit of the title compound, C19H16N2O5S, contains four independent molecules (A,B,CandD), with two molecules (BandD) displaying disorder in their methylsulfanyl groups [occupancy ratios of 0.797 (11):0.203 (11) and 0.85 (2):0.15 (2)]. The nitro groups are twisted slightly out of the planes of the 2-pyrroline rings to which they are bonded with dihedral angles of 10.17 (1), 8.01 (1), 9.44 (1) and 8.87 (1)° in moleculesA,B,CandD, respectively. The 2-pyrroline rings are almost orthogonal to the attached tolyl rings, forming dihedral angles of 73.44 (1), 81.21 (1), 88.18 (8) and 73.94 (1)° for moleculesA,B,CandD, respectively. A weak intramolecular O—H...O interaction is observed in moleculesBandC. The two hydroxy groups in each molecule are involved in intermolecular O—H...O hydrogen bonding. In the crystal, molecules are connectedviaO—H...O and C—H...O hydrogen bonds, forming a complex three-dimensional network.

scholarly journals 1-(4-Chlorobutanoyl)-3-(2-nitrophenyl)thiourea

2012 ◽  
Vol 68 (6) ◽  
pp. o1801-o1801 ◽  
Author(s):  
Nurziana Ngah ◽  
Maisara Kadir ◽  
Bohari M. Yamin ◽  
M. Sukeri M. Yusof
Keyword(s):  
Hydrogen Bonding ◽  
Benzene Ring ◽  
Title Compound ◽  
Dihedral Angles ◽  
Intermolecular Hydrogen Bonding ◽  
Asymmetric Unit ◽  
Compound C ◽  
Thioamide Group ◽  
Independent Molecules

The asymmetric unit of the title compound, C11H12ClN3O3S, contains two independent molecules with different conformations in which the benzene ring and the thiourea fragment form dihedral angles of 87.28 (12) and 66.44 (10)°. The O atom of the thioamide group is involved in bifurcated N—H...O intra- and intermolecular hydrogen bonding; the latter interaction links the independent molecules into a dimer. In the crystal, N—H...S interactions link the molecules into chains propagating along the c axis.

scholarly journals Crystal structure of 2,3-diphenyl-2,3-dihydro-4H-1,3-benzothiazin-4-one 1-oxide

2017 ◽  
Vol 73 (8) ◽  
pp. 1189-1191 ◽  
Author(s):  
Hemant P. Yennawar ◽  
Ryan Fox ◽  
Quentin J. Moyer ◽  
Ziwei Yang ◽  
Lee J. Silverberg
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonding ◽  
Benzene Ring ◽  
Title Compound ◽  
Phenyl Group ◽  
Dihedral Angles ◽  
Compound C ◽  
Hydrogen Bonding Interactions ◽  
Thiazine Ring

In the racemic title compound, C20H15NO2S, the planes of the two phenyl substituents form dihedral angles of 48.97 (15) and 69.26 (15)° with that of the fused benzene ring of the parent benzothiazine ring, while the heterocyclic thiazine ring exhibits a screw-boat pucker. The O atom on the S atom of the ring is pseudo-axial on the thiazine ring and trans to the 2-phenyl group. In the crystal, molecules are arranged in layers in the ac plane, the layers being linked across b through intermolecular C—H...O hydrogen-bonding interactions.

scholarly journals Crystal structure of the thalidomide analog (3aR*,7aS*)-2-(2,6-dioxopiperidin-3-yl)hexahydro-1H-isoindole-1,3(2H)-dione

2018 ◽  
Vol 74 (11) ◽  
pp. 1595-1598 ◽  
Author(s):  
Yousef Hijji ◽  
Ellis Benjamin ◽  
Jerry P. Jasinski ◽  
Ray J. Butcher
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonding ◽  
Aromatic Ring ◽  
Title Compound ◽  
Reciprocal Lattice ◽  
Three Dimensional ◽  
Racemic Mixture ◽  
Asymmetric Unit ◽  
Compound C ◽  
Graph Set

The title compound, C13H16N2O4, crystallizes in the monoclinic centrosymmetric space group, P21/c, with four molecules in the asymmetric unit, thus there is no crystallographically imposed symmetry and it is a racemic mixture. The structure consists of a six-membered unsaturated ring bound to a five-membered pyrrolidine-2,5-dione ring N-bound to a six-membered piperidine-2,6-dione ring and thus has the same basic skeleton as thalidomide, except for the six-membered unsaturated ring substituted for the aromatic ring. In the crystal, the molecules are linked into inversion dimers by R 2 2(8) hydrogen bonding involving the N—H group. In addition, there are bifurcated C—H...O interactions involving one of the O atoms on the pyrrolidine-2,5-dione with graph-set notation R 1 2(5). These interactions along with C—H...O interactions involving one of the O atoms on the piperidine-2,6-dione ring link the molecules into a complex three-dimensional array. There is pseudomerohedral twinning present which results from a 180° rotation about the [100] reciprocal lattice direction and with a twin law of 1 0 0 0 \overline{1} 0 0 0 \overline{1} [BASF 0.044 (1)].

scholarly journals Crystal structure of 3-benzamido-1-(4-nitrobenzyl)quinolinium trifluoromethanesulfonate

2016 ◽  
Vol 72 (5) ◽  
pp. 747-750
Author(s):  
Mariana Nicolas-Gomez ◽  
Iván J. Bazany-Rodríguez ◽  
Eduardo Plata-Vargas ◽  
Simón Hernández-Ortega ◽  
Alejandro Dorazco-González
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonding ◽  
Organic Cations ◽  
Dihedral Angles ◽  
Asymmetric Unit ◽  
Group Interactions ◽  
Compound C ◽  
Hydrogen Bonding Interactions ◽  
Phenyl Rings ◽  
Supramolecular Chains

In the title compound, C23H18N3O3+·CF3SO3−, the asymmetric unit contains two crystallographically independent organic cations with similar conformations. Each cation shows a moderate distortion between the planes of the amide groups and the quinolinium rings with dihedral angles of 14.90 (2) and 31.66 (2)°. The quinolinium and phenyl rings are slightly twisted with respect to each other at dihedral angles of 6.99 (4) and 8.54 (4)°. The trifluoromethanesulfonate anions are linked to the organic cationsviaN—H...O hydrogen-bonding interactions involving the NH amide groups. In the crystal, the organic cations are linked by weak C—H...O(nitro group) interactions into supramolecular chains propagating along theb-axis direction.

scholarly journals 3-(2-Pyridyl)-5-(4-pyridyl)-4-(p-tolyl)-1H-1,2,4-triazole

2009 ◽  
Vol 65 (6) ◽  
pp. o1225-o1225
Author(s):  
Lu-Tong Yuan ◽  
Hai Zhang ◽  
Zuo-Xiang Wang ◽  
Zhi-Rong Qu
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonding ◽  
Title Compound ◽  
Triazole Ring ◽  
Dihedral Angles ◽  
Stacking Interactions ◽  
Compound C ◽  
Hydrogen Bonding Interactions ◽  
Π Stacking ◽  
Centroid Distance

In the molecule of the title compound, C19H15N5, the dihedral angles formed by the plane of the triazole ring with those of the 2-pyridyl, 4-pyridyl andp-tolyl rings are 28.12 (10), 34.62 (10) and 71.43 (9)°, respectively. The crystal structure is consolidated by C—H...π hydrogen-bonding interactions and by π–π stacking interactions, with a centroid–centroid distance of 3.794 (4) Å.

scholarly journals 5-Hydroxy-2-nitrobenzaldehyde thiosemicarbazone (HNBATSC)

2014 ◽  
Vol 70 (8) ◽  
pp. o846-o846 ◽  
Author(s):  
M. Sivasankar Reddy ◽  
Y. Sarala ◽  
M. Jagadeesh ◽  
Samar K. Das ◽  
Varada Reddy Ammireddy
Keyword(s):  
Hydrogen Bonds ◽  
Benzene Ring ◽  
Aromatic Ring ◽  
Title Compound ◽  
Dihedral Angles ◽  
Two Dimensional ◽  
Asymmetric Unit ◽  
Compound C ◽  
Independent Molecules

The asymmetric unit of the title compound, C8H8N4O3S, consists of two independent molecules. Each molecule is approximately planar with dihedral angles of 8.71 (3) and 1.50 (2)° between the aromatic ring and the thiosemicarbazide moiety while the NO2group makes dihedral angles of 29.27 (3) and 17.78 (3)° with the benzene ring. In the crystal, the molecules are linked by N—H...S, O—H...O and N—H...O hydrogen bonds, forming two-dimensional networks parallel to (100).

2′,7′-Di-4-pyridylspiro[cyclopropane-1,9′-fluorene] hemihydrate

2006 ◽  
Vol 62 (7) ◽  
pp. o3013-o3014 ◽  
Author(s):  
Zi-Xing Wang ◽  
Hai-Yao Lin ◽  
Ping Lu
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonding ◽  
Water Molecule ◽  
Title Compound ◽  
Dihedral Angles ◽  
Asymmetric Unit ◽  
Solvent Water Molecule ◽  
One Dimensional ◽  
Solvent Water ◽  
Compound C

The asymmetric unit of the crystal structure of the title compound, C25H18N2·0.5H2O, contains two independent dipyridylspiro(cyclopropanefluorene) (CPF) molecules and one solvent water molecule. The two CPF molecules show significantly different dihedral angles between the pyridine rings and fluorene plane. The water molecule links with the CPF molecules via O—H...N hydrogen bonding to form a one-dimensional supramolecular chain.

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