scholarly journals 1,3-Dinitrosoimidazolidine

2012 ◽  
Vol 68 (8) ◽  
pp. o2440-o2440
Author(s):  
Augusto Rivera ◽  
Diego Quiroga ◽  
Jaime Ríos-Motta ◽  
Michal Dušek ◽  
Karla Fejfarová
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Torsion Angle ◽  
Title Compound ◽  
Spatial Arrangement ◽  
The Other ◽  
Torsion Angles ◽  
Compound C ◽  
Partial Disorder

The title compound, C3H6N4O2, exhibits partial disorder with the refined occupancy ratios of the two components being 0.582 (5):0.418 (5). In the major component, the nitroso groups have a relativesynspatial arrangement [O=N...N=O pseudo-torsion angle = 1.1 (4)°], whereas the other component has anantidisposition [177.6 (1)°]. The N—N=O moieties are almost coplanar with a dihedral angle of 5.3 (3)°, while in the minor occupied set of atoms, this angle is 8 (1)°. In both components, the imidazolidine ring adopts a twisted conformation on the C—C bond and the crystal structure shows the strain of this ring according to the N—CH2—CH2—N torsion angles [25.9 (5) and −23.8 (7)°]. In the crystal, molecules are linked by weak C—H...O hydrogen bonds.

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 Crystal structure of (E)-N-{2-[2-(3-chlorobenzylidene)hydrazinyl]-2-oxoethyl}-4-methylbenzenesulfonamide monohydrate

2015 ◽  
Vol 71 (6) ◽  
pp. 602-605 ◽  
Author(s):  
H. Purandara ◽  
Sabine Foro ◽  
B. Thimme Gowda
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Torsion Angle ◽  
Title Compound ◽  
Aromatic Rings ◽  
Hydrogen Atoms ◽  
Torsion Angles ◽  
Compound C ◽  
Corrugated Sheets

The molecule of the title compound, C16H16ClN3O3S·H2O, is L-shaped being bent at the S atom; the S—N—C—C torsion angle is 132.0 (3)°. The central part of the molecule, C—C—N—N=C, is almost linear, with the C—C—N—N and C—N—N=C torsion angles being −174.1 (2) and 176.0 (2)°, respectively. The dihedral angle between thep-toluenesulfonyl ring and the S—N—C—C(=O) segment is 67.5 (4)°, while that between the two aromatic rings is 52.17 (11)°. In the crystal, the water H atom is involved in O—H...O hydrogen bonds with a sulfonamide O atom and the carbonyl O atom. The water O atom is itself hydrogen bonded to both NH hydrogen atoms. These four hydrogen bonds lead to the formation of corrugated sheets lying parallel to (100). There are also weak C—H...O contacts present within the sheets.

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.

3-(Trifluoromethyl)anilinium 2-carboxy-4,5-dichlorobenzoate

2007 ◽  
Vol 63 (11) ◽  
pp. o4374-o4375 ◽  
Author(s):  
Mustafa Odabaşoğlu ◽  
Orhan Büyükgüngör
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
The Other ◽  
Aromatic Rings ◽  
Compound C ◽  
A Chain

The crystal structure of the title compound, C7H7F3N+·C8H3Cl2O4 −, is stabilized by five N—H...O, one O—H...O, two C—H...O and three C—H...X (X = F, Cl) hydrogen bonds. Intramolecular O—H...O and C—H...X hydrogen bonds generate edge-fused [S(7)R 4 4(24)S(7)R 2 2(10)S(7)R 4 4(24)S(7)] motifs. The cations and anions are linked to each other by C—H...O hydrogen bonds, forming a chain along the c axis. This chain and the other hydrogen bonds form [R 3 2(6)R 1 2(4)S(7)R 1 2(4)R 4 4(18)R 5 5(24)R 4 4(18)R 1 2(4)R 1 2(4)S(7)R 1 2(4)R 3 2(6)] motifs. The dihedral angle between the planes of the aromatic rings in the cation and anion is 34.86 (1)°.

scholarly journals Crystal structure of Dehydrodieugenol B methyl ether, a neolignan from Nectandra leucantha Nees and Mart (Lauraceae)

2018 ◽  
Vol 74 (4) ◽  
pp. 518-521
Author(s):  
Simone S. Grecco ◽  
Gerold Jerz ◽  
Joao Henrique G. Lago ◽  
Peter G. Jones
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Methyl Ether ◽  
Title Compound ◽  
Side Chains ◽  
Stacking Interactions ◽  
Aromatic Rings ◽  
Torsion Angles ◽  
Compound C

In the title compound, C21H24O4 (systematic name: 4,5′-diallyl-2,2′,3′-trimethoxydiphenyl ether), the aromatic rings lie almost perpendicular to each other [dihedral angle = 85.96 (2)°]. The allyl side chains show similar configurations, with Car—C—C=C (ar = aromatic) torsion angles of −123.62 (12) and −115.54 (12)°. A possible weak intramolecular C—H...O interaction is observed. In the crystal, molecules are connected by two C—H...O hydrogen bonds, forming undulating layers lying parallel to the bc plane. Weak C—H...π and π–π stacking interactions also occur.

scholarly journals 6-Methyl-1-({[(2E)-2-methyl-3-phenylprop-2-en-1-yl]oxy}methyl)-1,2,3,4-tetrahydroquinazoline-2,4-dione

2012 ◽  
Vol 68 (6) ◽  
pp. o1768-o1769
Author(s):  
Nasser R. El-Brollosy ◽  
Mohamed I. Attia ◽  
Ali A. El-Emam ◽  
Seik Weng Ng ◽  
Edward R. T. Tiekink
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Torsion Angle ◽  
Title Compound ◽  
Phenyl Ring ◽  
Three Dimensional ◽  
Π Interactions ◽  
Compound C ◽  
Ethylene Bond

In the title compound, C20H20N2O3, the ten atoms comprising the quinazoline ring are essentially planar (r.m.s. deviation = 0.024 Å), and this plane is almost orthogonal to the terminal phenyl ring [dihedral angle = 82.87 (7)°]. The conformation about the ethylene bond [1.335 (2) Å] is E and there is a significant twist between this residue and the adjacent phenyl ring [C—C—C— torsion angle = −48.4 (3)°]. The crystal structure features centrosymmetric dimeric units linked by pairs of N—H...O hydrogen bonds between the amide groups which lead to eight-membered {...HNCO}2 synthons. These are consolidated into a three-dimensional architecture by C—H...O, C—H...π and π–π interactions [centroid–centroid distances = 3.5087 (8) and 3.5645 (9) Å].

scholarly journals Crystal structure ofN-[4-amino-5-cyano-6-(methylsulfanyl)pyridin-2-yl]-2-chloroacetamide

2015 ◽  
Vol 71 (3) ◽  
pp. o169-o170
Author(s):  
Shaaban K. Mohamed ◽  
Kyle S. Knight ◽  
Mehmet Akkurt ◽  
Bahgat R. M. Hussein ◽  
Mustafa R. Albayati
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Torsion Angle ◽  
Title Compound ◽  
Pyridine Ring ◽  
Compound C

In the title compound, C9H9ClN4OS, the dihedral angle between the acetamide moiety and the pyridine ring is 4.83 (12)°. The O=C—C—Cl torsion angle is 46.4 (3)° and an intramolecular C—H...O interaction generates anS(6) ring. In the crystal, molecules are linked by N—H...O, N—H...N and C—H...N hydrogen bonds, generating sheets lying parallel to (120).

scholarly journals Crystal structure of 2,2-dimethyl-N-(5-methylpyridin-2-yl)propanamide

2015 ◽  
Vol 71 (6) ◽  
pp. o419-o420
Author(s):  
Gamal A. El-Hiti ◽  
Keith Smith ◽  
Amany S. Hegazy ◽  
Saud A. Alanazi ◽  
Benson M. Kariuki
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Torsion Angle ◽  
Title Compound ◽  
The Other ◽  
Asymmetric Unit ◽  
Tertiary Butyl ◽  
Compound C ◽  
Independent Molecules

There are two molecules in the asymmetric unit of the title compound, C11H16N2O. The pyridine rings and amide groups overlap almost perfectly (r.m.s. overlay fit = 0.053 Å), but the tertiary butyl groups have different orientations: in one molecule, one of the methyl C atoms issynto the amide O atom [O—C—C—C = −0.8 (3)°] and in the other the equivalent torsion angle is 31.0 (2)°. In the crystal, the two independent molecules are linked by a pair of N—H...N hydrogen bonds in the form of anR22(8) loop to form a dimer. A C—H...O interaction connects the dimers into [100] chains.

scholarly journals Crystal structure of bis(allylammonium) oxalate

2014 ◽  
Vol 70 (12) ◽  
pp. o1229-o1230
Author(s):  
Błażej Dziuk ◽  
Bartosz Zarychta ◽  
Krzysztof Ejsmont
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Torsion Angle ◽  
The Other ◽  
Asymmetric Unit ◽  
Torsion Angles

The title salt, 2C3H8N+·C2O42−, crystallized with six independent allylammonium cations and three independent oxalate dianions in the asymmetric unit. One of the oxalate dianions is nearly planar [dihedral angle between CO2planes = 1.91 (19)°], while the other two are twisted with angles of 11.3 (3) and 26.09 (13)°. One cation has a synperiplanar (cis) conformation with an N—C—C—C torsion angle of 0.9 (3)°, whereas the five remaining cations are characterized bygauchearrangements, with the N—C—C—C torsion angles ranging from 115.9 (12) to 128.8 (3)°. One of the allylammonium cations is positionally disordered (fixed occupancy ratio = 0.45:0.55). In the crystal, the cations and anions are connected by a number of strong N—H...O and N—H...(O,O) hydrogen bonds, forming layers parallel to (001), with the vinyl groups protruding into the space between the layers.

scholarly journals Bis(2,3-dichlorophenyl) disulfide

2014 ◽  
Vol 70 (5) ◽  
pp. o529-o529 ◽  
Author(s):  
Rebeca Nayely Osorio-Yáñez ◽  
Carmela Crisóstomo-Lucas ◽  
Ericka Santacruz-Juárez ◽  
Reyna Reyes-Martínez ◽  
David Morales-Morales
Keyword(s):  
Crystal Structure ◽  
Dihedral Angle ◽  
Torsion Angle ◽  
Title Compound ◽  
The Other ◽  
Stacking Interactions ◽  
Compound C ◽  
Π Stacking ◽  
Benzene Rings

The title compound, C12H6Cl4S2, features an S—S bond [2.0252 (8) Å] that bridges two 2,3-dichlorophenyl rings with a C—S—S—C torsion angle of 88.35 (11)°. The benzene rings are normal one to the other with a dihedral angle of 89.83 (11)°. The crystal structure features intermolecular Cl...Cl [3.4763 (11) Å] and π–π stacking interactions [centroid–centroid distances = 3.696 (1) and 3.641 (2) Å]. Intramolecular C—H...S interactions are also observed.

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