scholarly journals Crystal structure and hydrogen-bonding patterns in 5-fluorocytosinium picrate

2017 ◽  
Vol 73 (3) ◽  
pp. 361-364 ◽  
Author(s):  
Marimuthu Mohana ◽  
Packianathan Thomas Muthiah ◽  
Colin D. McMillen
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonding ◽  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
Two Dimensional ◽  
Π Interactions ◽  
Sheet Structure ◽  
Bonding Patterns

In the crystal structure of the title compound, 5-fluorocytosinium picrate, C4H5FN3O+·C6H2N3O7−, one N heteroatom of the 5-fluorocytosine (5FC) ring is protonated. The 5FC ring forms a dihedral angle of 19.97 (11)° with the ring of the picrate (PA−) anion. In the crystal, the 5FC+cation interacts with the PA−anion through three-centre N—H...O hydrogen bonds, forming two conjoined rings havingR21(6) andR12(6) motifs, and is extended by N—H...O hydrogen bonds and C—H...O interactions into a two-dimensional sheet structure lying parallel to (001). Also present in the crystal structure are weak C—F...π interactions.

scholarly journals Crystal structure of 4,4′-dimethoxy-2,2′-bipyridine

2015 ◽  
Vol 71 (8) ◽  
pp. o623-o624
Author(s):  
Yukiko Kusano ◽  
Keiji Ohno ◽  
Takashi Fujihara
Keyword(s):  
Crystal Structure ◽  
Dihedral Angle ◽  
Title Compound ◽  
Three Dimensional ◽  
Two Dimensional ◽  
Π Interactions ◽  
Compound C ◽  
Dimensional Network ◽  
Centroid Distance ◽  
Sheet Structure

In the title compound, C12H12N2O2, the dihedral angle between the planes of the two pyridine rings is 5.8 (1)°. Neighbouring molecules are linkedviaC(Me)—H...N interactions, generating a two-dimensional sheet structure; C—H...π interactions further link the molecules into a three-dimensional network. An overlapped arrangement of parallel pyridine rings in neighbouring molecules [centroid-to-centroid distance = 3.6655 (15) Å] is observed in the crystal structure.

scholarly journals Crystal structure of 2-ethyl-3-(4-fluorophenylsulfonyl)-5,7-dimethyl-1-benzofuran

2014 ◽  
Vol 70 (10) ◽  
pp. 249-251
Author(s):  
Hong Dae Choi ◽  
Uk Lee
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
Two Dimensional ◽  
Π Interactions ◽  
Compound C ◽  
Dimensional Network ◽  
Centroid Distance

In the title compound, C18H17FO3S, the dihedral angle between the plane of the benzofuran ring [r.m.s. deviation = 0.006 (1) Å] and that of the 4-fluorophenyl ring [r.m.s. deviation = 0.004 (1) Å] is 82.45 (4)°. In the crystal, molecules are linkedviathree different pairs of C—H...O hydrogen bonds, forming chains along [001] and enclosing twoR22(10) and oneR22(12) ring motifs. The chains are further linked by π–π interactions [inter-centroid distance = 3.566 (1) Å] between the furan rings of inversion-related molecules, forming a two-dimensional network lying parallel to (100).

scholarly journals Crystal structure of ethyl (2S)-9-methoxy-2-methyl-4-oxo-3,4,5,6-tetrahydro-2H- 2,6-methanobenzo[g][1,3,5]oxadiazocine-11-carboxylate

2015 ◽  
Vol 71 (2) ◽  
pp. o117-o118
Author(s):  
A. Dhandapani ◽  
S. Manivarman ◽  
S. Subashchandrabose ◽  
B. Gunasekaran
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
Two Dimensional ◽  
Π Interactions ◽  
Compound C ◽  
Dimensional Network ◽  
The Mean

In the title compound, C15H18N2O5, the methoxyphenyl ring makes a dihedral angle of 84.70 (12)° with the mean plane of the tetrahydropyrimidin-2(1H)-one ring. Both the pyran and tetrahydropyrimidin-2(1H)-one rings have distorted envelope conformations with the carboxylate-substituted C atom as the flap. In the crystal, molecules are linkedviapairs of N—H...O hydrogen bonds, forming zigzag chains propagating along [010], which encloseR22(8) ring motifs. The chains are linked by C—H...π interactions, forming a two-dimensional network parallel to (100).

scholarly journals Crystal structure of metobromuron

2015 ◽  
Vol 71 (8) ◽  
pp. o589-o589
Author(s):  
Gihaeng Kang ◽  
Jineun Kim ◽  
Eunjin Kwon ◽  
Tae Ho Kim
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
Two Dimensional ◽  
Axis Direction ◽  
Π Interactions ◽  
Phenylurea Herbicide ◽  
Dimensional Network ◽  
Urea Group

The title compound [systematic name: 3-(4-bromophenyl)-1-methoxy-1-methylurea], C9H11BrN2O2, is a phenylurea herbicide. The dihedral angle between the plane of the urea group and that of the bromophenyl ring is 39.13 (10)°. In the crystal, N—H...O and C—H...O hydrogen bonds and weak C—H...π interactions link adjacent molecules, forming chains along thea-axis direction. In addition, short intermolecular Br...Br contacts [3.648 (4) Å] are present, resulting in a two-dimensional network extending parallel to (101).

scholarly journals Crystal structure of flumioxazin

2015 ◽  
Vol 71 (10) ◽  
pp. o768-o768
Author(s):  
Hyunjin Park ◽  
Jineun Kim ◽  
Eunjin Kwon ◽  
Tae Ho Kim
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Benzene Ring ◽  
Dihedral Angle ◽  
Title Compound ◽  
Two Dimensional ◽  
Π Interactions

The title compound {systematic name: 2-[7-fluoro-3,4-dihydro-3-oxo-4-(prop-2-yn-1-yl)-2H-1,4-benzoxazin-6-yl]-4,5,6,7-tetrahydro-1H-isoindole-1,3(2H)-dione}, C19H15FN2O4, is a dicarboximide herbicide. The dihedral angle between the maleimide and benzene ring planes is 66.13 (5)°. In the crystal, C—H...O and C—H...F hydrogen bonds and weak C—H...π interactions [3.5601 (19) Å] link adjacent molecules, forming two-dimensional networks extending parallel to the (110) plane.

scholarly journals Crystal structure of anilazine

2014 ◽  
Vol 70 (9) ◽  
pp. o923-o923
Author(s):  
Youngeun Jeon ◽  
Jineun Kim ◽  
Gihang Kang ◽  
Tae Ho Kim
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
Three Dimensional ◽  
Two Dimensional ◽  
Π Interactions ◽  
Benzene Rings

The title compound [systematic name: 4,6-dichloro-N-(2-chlorophenyl)-1,3,5-triazin-2-amine], C9H5Cl3N4, is a triazine fungicide. The dihedral angle between the planes of the triazine and benzene rings is 4.04 (8)°. In the crystal, two weak C—H...N hydrogen bonds and short Cl...Cl contacts [3.4222 (4) Å] link adjacent molecules, forming two-dimensional networks parellel to the (112) plane. The planes are linked by weak intermolecular π–π interactions [3.6428 (5) and 3.6490 (5) Å], resulting in a three-dimensional architecture.

scholarly journals 4-Chloro-1-[2-(2-chlorophenyl)ethyl]-2-nitrobenzene

IUCrData ◽  
2016 ◽  
Vol 1 (7) ◽  
Author(s):  
H. S. Yeshwanthkumar ◽  
P. Nagendra ◽  
B. P. Siddaraju ◽  
K. C. Chaluvaraju ◽  
K. Byrappa ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Nitro Group ◽  
Dihedral Angle ◽  
Title Compound ◽  
Π Interactions ◽  
Compound C ◽  
Phenyl Rings

In the title compound, C14H11Cl2NO2, the dihedral angle between the phenyl rings is 8.60 (17)° and the nitro group makes a dihedral anle of 29.4 (4)° with its attached ring. The crystal structure features C—H...O hydrogen bonds and π–π interactions.

scholarly journals Crystal structure of 1-benzyl-4-formyl-1H-pyrrole-3-carboxamide

2016 ◽  
Vol 72 (2) ◽  
pp. 133-135
Author(s):  
Qi-Di Zhong ◽  
Sheng-Quan Hu ◽  
Hong Yan
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
Π Interactions ◽  
Bond Forming ◽  
Compound C ◽  
The Mean ◽  
Ring Motif

In the title compound, C13H12N2O2(I), the mean planes of the pyrrole and benzyl rings are approximately perpendicular, forming a dihedral angle of 87.07 (4) °. There is an intramolecular N—H...O hydrogen bond forming an S(7) ring motif. In the crystal, molecules are linkedviaa pair of N—H...O hydrogen bonds forming inversion dimers. C—H...O hydrogen bonds link the dimers into chains along direction [10-1]. The chains are further linked by weak C—H...π interactions forming layers parallel to theacplane.

scholarly journals Crystal structure of dimethyl 3,3′-[(4-fluorophenyl)methylene]bis(1H-indole-2-carboxylate)

2015 ◽  
Vol 71 (10) ◽  
pp. 1140-1142 ◽  
Author(s):  
Hong-Shun Sun ◽  
Yu-long Li ◽  
Hong Jiang ◽  
Ning Xu ◽  
Hong Xu
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
Indole Ring ◽  
Ring Systems ◽  
Π Interactions ◽  
Compound C ◽  
The Mean ◽  
Supramolecular Chains

In the title compound, C27H21FN2O4, the mean planes of the indole ring systems (r.m.s. deviations = 0.0263 and 0.0160 Å) are approximately perpendicular to one another, making a dihedral angle of 84.0 (5)°; the fluorobenzene ring is twisted with respect to the mean planes of the two indole ring systems at 89.5 (5) and 84.6 (3)°. In the crystal, pairs of N—H...O hydrogen bonds link the molecules into inversion dimers, which are further linked by N—H...O hydrogen bonds into supramolecular chains propagated along theb-axis direction. Weak C—H...π interactions are observed between neighbouring chains.

scholarly journals Crystal structure of ethyl 6-methyl-2-sulfanylidene-4-(thiophen-2-yl)-1,2,3,4-tetrahydropyrimidine-5-carboxylate

2015 ◽  
Vol 71 (2) ◽  
pp. o81-o82 ◽  
Author(s):  
M. Suresh ◽  
M. Syed Ali Padusha ◽  
J. Josephine Novina ◽  
G. Vasuki ◽  
Vijayan Viswanathan ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Dihedral Angle ◽  
Title Compound ◽  
Three Dimensional ◽  
Π Interactions ◽  
Compound C ◽  
Supramolecular Chain

In the title compound, C12H14N2O2S2, the dihydropyrimidine ring adopts a sofa conformation, with the C atom bearing the thienyl ring lying above the plane of the five remaining approximately coplanar (r.m.s. deviation = 0.0405 Å) atoms of the ring. The dihedral angle between the five near coplanar atoms of the ring and the thienyl ring is 89.78 (11)°. In the crystal, molecules are linked into a supramolecular chain along [100]viaN—H...O(carbonyl) hydrogen bonds. Inversion-related chains are linked into double chainsviaN—H...S(thione) hydrogen bonds. The three-dimensional architecture also features methyl–thienyl C—H...π interactions.

Sign in / Sign up

Export Citation Format

Share Document