scholarly journals Crystal structure ofN′-hydroxypyrimidine-2-carboximidamide

2014 ◽  
Vol 70 (10) ◽  
pp. o1107-o1108 ◽  
Author(s):  
Nithianantham Jeeva Jasmine ◽  
Packianathan Thomas Muthiah ◽  
Nithianantham Stanley
Keyword(s):  
Crystal Structure ◽  
Double Bond ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Pyrimidine Ring ◽  
Stacking Interactions ◽  
Compound C ◽  
Centroid Distance ◽  
Sheet Structure ◽  
Ring Motif

The title compound, C5H6N4O, is approximately planar, with an angle of 11.04 (15)° between the planes of the pyrimidine ring and the non-H atoms of the carboximidamide unit. The molecule adopts anEconfiguration about the C=N double bond. In the crystal, adjacent molecules are linked by pairs of N—H...O hydrogen bonds, forming inversion dimers with anR22(10) ring motif. The dimers are further linkedviaN—H...N and O—H...N hydrogen bonds into a sheet structure parallel to theacplane. The crystal structure also features N—H...O and weak C—H...O hydrogen bonds and offset π–π stacking interactions between adjacent pyrimidine rings [centroid–centroid distance = 3.622 (1) Å].

scholarly journals Crystal structure of (E)-N-{2-[2-(2-chlorobenzylidene)hydrazin-1-yl]-2-oxoethyl}-4-methylbenzamide monohydrate

2015 ◽  
Vol 71 (7) ◽  
pp. 795-798 ◽  
Author(s):  
H. Purandara ◽  
Sabine Foro ◽  
B. Thimme Gowda
Keyword(s):  
Crystal Structure ◽  
Double Bond ◽  
Hydrogen Bonds ◽  
Water Molecule ◽  
Torsion Angle ◽  
Stacking Interactions ◽  
Compound C ◽  
Centroid Distance ◽  
Benzene Rings ◽  
Ring Motif

The title compound, C17H16ClN3O2·H2O, an acylhydrazone derivative, contains a glycine moiety and two substituted benzene rings on either end of the chain. It crystallized as a monohydrate. The molecules adopt anEconformation with respect to the C=N double bond, as indicated by the N—N=C—C torsion angle of 179.38 (14)°. The molecule is twisted in such a way that the almost planar Car—C(=O)—N(H)—C(H2) and C(H2)—C(=O)N(H)—N=C—Car[r.m.s deviations = 0.009 and 0.025 Å, respectively] segments are inclined to on another by 77.36 (8)°, while the benzene rings are normal to one another, making a dihedral angle of 89.69 (9)°. In the crystal, the water molecule links three molecules through two O—H...O and one N—H...O hydrogen bonds. The molecules are linkedviapairs of N—H...O hydrogen bonds, forming inversion dimers with anR22(14) ring motif. The dimers are linked by O—H...O hydrogen bonds, involving two molecules of water, forming chains along [100], enclosingR22(14) andR22(18) ring motifs. The chains are linked through C—H...O interactions, forming sheets parallel to (010). Within the sheets, there are C—H...π and parallel slipped π–π stacking interactions present [inter-centroid distance = 3.6458 (12) Å].

scholarly journals Crystal structure of 2-benzylamino-4-p-tolyl-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile

2015 ◽  
Vol 71 (2) ◽  
pp. 192-194
Author(s):  
R. A. Nagalakshmi ◽  
J. Suresh ◽  
S. Maharani ◽  
R. Ranjith Kumar ◽  
P. L. Nilantha Lakshman
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Pyridine Ring ◽  
Three Dimensional ◽  
Π Interactions ◽  
Compound C ◽  
Centroid Distance ◽  
Cyclopentane Ring ◽  
Ring Motif

The title compound, C23H21N3, comprises a 2-amino-3-cyanopyridine ring fused with a cyclopentane ring. The later adopts an envelope conformation with the central methylene C atom as the flap. The benzyl and andp-tolyl rings are inclined to one another by 56.18 (15)°, and to the pyridine ring by 81.87 (14) and 47.60 (11)°, respectively. In the crystal, molecules are linked by pairs of N—H...Nnitrilehydrogen bonds, forming inversion dimers with anR22(12) ring motif. The dimers are linked by C—H...π and π–π interactions [centroid–centroid distance = 3.7211 (12) Å], forming a three-dimensional framework.

scholarly journals 2,4-Dibromo-2,3-dihydro-1H-inden-1-yl acetate

2012 ◽  
Vol 68 (6) ◽  
pp. o1884-o1884 ◽  
Author(s):  
Ísmail Çelik ◽  
Mehmet Akkurt ◽  
Makbule Yilmaz ◽  
Ahmet Tutar ◽  
Ramazan Erenler ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Benzene Ring ◽  
Title Compound ◽  
Van Der Waals ◽  
Van Der Waals Forces ◽  
Stacking Interactions ◽  
Compound C ◽  
Centroid Distance ◽  
Cyclopentene Ring

In the title compound, C11H10Br2O2, the cyclopentene ring fused to the benzene ring adopts an envelope conformation, with the C atom attached to the Br atom as the flap. The crystal structure does not exhibit any classical hydrogen bonds. The molecular packing is stabilized by van der Waals forces and π–π stacking interactions with a centroid–centroid distance of 3.811 (4) Å.

scholarly journals Crystal structure of 7-{[bis(pyridin-2-ylmethyl)amino]methyl}-5-chloroquinolin-8-ol

2015 ◽  
Vol 71 (12) ◽  
pp. 1545-1547
Author(s):  
Koji Kubono ◽  
Kimiko Kado ◽  
Yukiyasu Kashiwagi ◽  
Keita Tani ◽  
Kunihiko Yokoi
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Hydroxy Group ◽  
Title Compound ◽  
Dihedral Angles ◽  
Π Interactions ◽  
Compound C ◽  
Centroid Distance ◽  
Ring Motif

In the title compound, C22H19ClN4O, the quinolinol moiety is almost planar [r.m.s. deviation = 0.012 Å]. There is an intramolecular O—H...N hydrogen bond involving the hydroxy group and a pyridine N atom forming anS(9) ring motif. The dihedral angles between the planes of the quinolinol moiety and the pyridine rings are 44.15 (9) and 36.85 (9)°. In the crystal, molecules are linkedviaC—H...O hydrogen bonds forming inversion dimers with anR44(10) ring motif. The dimers are linked by C—H...N hydrogen bonds, forming ribbons along [01-1]. The ribbons are linked by C—H...π and π–π interactions [inter-centroid distance = 3.7109 (11) Å], forming layers parallel to (01-1).

scholarly journals N-Methyl-N-nitroso-p-toluenesulfonamide

2014 ◽  
Vol 70 (7) ◽  
pp. o782-o782
Author(s):  
Kartik Rai ◽  
Vincent Wu ◽  
Priya Gupta ◽  
David A. Laviska ◽  
Benny C. Chan
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonding ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Methyl Groups ◽  
Stacking Interactions ◽  
Aromatic Rings ◽  
Compound C ◽  
Π Stacking ◽  
Centroid Distance

The crystal structure of the title compound, C8H10N2O3S, displays predominant C—H...O hydrogen-bonding and π–π stacking interactions. The hydrogen bonds are between the O atoms of the sulfonyl group and H atoms on methyl groups. The π–π stacking interactions occur between adjacent aromatic rings, with a centroid–centroid distance of 3.868 (11) Å. These interactions lead to the formation of chains parallel to (101).

scholarly journals Crystal structure of ethyl 2-acetyl-3,7-dimethyl-5-(thiophen-2-yl)-5H-thiazolo[3,2-a]pyrimidine-6-carboxylate

2015 ◽  
Vol 71 (7) ◽  
pp. o477-o478
Author(s):  
N. L. Prasad ◽  
M. S. Krishnamurthy ◽  
Noor Shahina Begum
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Thiophene Ring ◽  
Three Dimensional ◽  
Pyrimidine Ring ◽  
Rotation Axes ◽  
Compound C ◽  
Dimensional Network ◽  
Centroid Distance

In the title compound, C17H18N2O3S2, the pyrimidine ring adopts a shallow sofa conformation, with the C atom bearing the axially-oriented thiophene ring as the flap [deviation = 0.439 (3) Å]. The plane of the thiophene ring lies almost normal to the pyrimidine ring, making a dihedral angle of 79.36 (19)°. In the crystal, pairs of very weak C—H...O hydrogen bonds link the molecules related by twofold rotation axes, formingR22(18) rings, which are in turn linked by another C—H...O interaction, forming chains of rings along [010]. In addition, weak C—H...π(thiophene) interactions link the chains into layers parallel to [001] and π–π interactions with a centroid–centroid distance of 3.772 (10) Å connect these layers into a three-dimensional network.

scholarly journals N-(4-Methoxyphenyl)-6-methyl-2-phenyl-5-{[4-(trifluoromethyl)anilino]methyl}pyrimidin-4-amine

2013 ◽  
Vol 69 (12) ◽  
pp. o1831-o1832
Author(s):  
Jerzy Cieplik ◽  
Janusz Pluta ◽  
Iwona Bryndal ◽  
Tadeusz Lis
Keyword(s):  
Hydrogen Bonds ◽  
Pyrimidine Ring ◽  
Dihedral Angles ◽  
Stacking Interactions ◽  
Asymmetric Unit ◽  
Compound C ◽  
Centroid Distance ◽  
Independent Molecules ◽  
Adjacent Molecule ◽  
Ring Motif

The title compound, C26H23F3N4O, crystallizes with two symmetry-independent molecules in the asymmetric unit, denotedAandB, which differ mainly in the rotation of the methoxyphenyl ring. The –CF3group of moleculeBis disordered by rotation, with the F atoms split over two sets of sites; the occupancy factor for the major component is 0.853 (4). The dihedral angles between the pyrimidine ring and the attached phenyl, methoxyphenyl and trifluoromethylphenyl rings are 8.1 (2), 37.5 (2) and 70.7 (2)°, respectively, in moleculeA, and 9.3 (2), 5.3 (2) and 79.7 (2)° in moleculeB. An intramolecular N—H...N hydrogen bond occurs in each molecule. In the crystal, two crystallographically independent molecules associate into a dimerviaa pair of N—H...N hydrogen bonds, with a resultingR22(12) ring motif and π–π stacking interactions [centroid–centroid distance = 3.517 (4) Å] between the pyrimidine rings. For theAmolecules, there are intermolecular C—H...O hydrogen bonds between an aryl C atom of methoxyphenyl ring and a methoxy O atom of an adjacent molecule. A similar interaction is lacking in theBmolecules.

scholarly journals Crystal structure of 6-bromo-7-fluoro-4-oxo-4H-chromene-3-carbaldehyde

2015 ◽  
Vol 71 (7) ◽  
pp. 857-860 ◽  
Author(s):  
Yoshinobu Ishikawa
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Least Squares ◽  
Title Compound ◽  
Weak Interactions ◽  
Stacking Interactions ◽  
Two Dimensional ◽  
Compound C ◽  
Dimensional Network ◽  
Centroid Distance

In the title compound, C10H4BrFO3, a brominated and fluorinated 3-formylchromone derivative, all atoms are essentially coplanar (r.m.s. deviation of 0.025 Å for the non-H atoms), with the largest deviation from the least-squares plane [0.050 (6) Å] being for a benzene-ring C atom. In the crystal, molecules are linked through stacking interactions [centroid–centroid distance between the benzene and pyran rings = 3.912 (4) Å], C—H...O hydrogen bonds and short C...O contacts [2.865 (7) Å]. Unsymmetrical halogen...halogen interactions between the bromine and fluorine atoms [Br...F = 3.116 (4) Å, C—Br...F = 151.8 (2), C—F...Br = 154.1 (4)°] are also formed, giving a meandering two-dimensional network propagating in the (041) plane. A comparison with related structures is made and the various types of weak interactions are ranked in importance.

scholarly journals Crystal structure of (E)-3-(4-hydroxybenzyl)-4-{[4-(methylsulfanyl)benzylidene]amino}-1H-1,2,4-triazole-5(4H)-thione

2015 ◽  
Vol 71 (12) ◽  
pp. o982-o983
Author(s):  
P. S. Manjula ◽  
B. K. Sarojini ◽  
B. Narayana ◽  
K. Byrappa ◽  
S. Madan Kumar
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Three Dimensional ◽  
Dimensional Structure ◽  
Dihedral Angles ◽  
Compound C ◽  
Centroid Distance ◽  
Ring Motif

In the title compound, C17H16N4OS2, the triazole and methylthiobenzylidene rings are nearly coplanar, making a dihedral angle of 6.52 (12)°. An intramolecular C—H...S hydrogen bond forms anS(6) ring motif. The hydroxybenzyl ring is almost normal to the triazole and methylthiobenzylidene rings, making dihedral angles of 78.56 (12) and 84.79 (11)°, respectively. In the crystal, molecules are linked through O—H...N and N—H...O hydrogen bonds, forming layers parallel to theacplane. The layers are linkedviaC—H...N hydrogen bonds, forming a three-dimensional structure. In addition, a short π–π interaction is observed [inter-centroid distance = 3.764 (3) Å], involving inversion-related methylthiobenzylidene rings.

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.

Sign in / Sign up

Export Citation Format

Share Document