C-H...S HYDROGEN BONDS
![Crystal structure of N,N′ bis[3 (methylsulfanyl)propyl] 1,8:4,5 naphthalenetetracarboxylic diimide](data:image/gif;base64,R0lGODlhAQABAIAAAP///wAAACH5BAEAAAAALAAAAAABAAEAAAICRAEAOw==)
Crystal structure of N,N′ bis[3 (methylsulfanyl)propyl] 1,8:4,5 naphthalenetetracarboxylic diimide
... crystal, C—H O and C—H S hydrogen bonds link the molecules into chains along the [220 ...the c-axis ...are H H (44.2%), H O/O H (18.2%), ...
9
1 Ethyl 4′ (1H indol 3 ylcarbonyl) 1′ methyl 2,2′′ dioxodispiro[indoline 3,2′ pyrrolidine 3′,3′′ indoline] 4′ carbonitrile dimethyl sulfoxide monosolvate
... the C atoms bearing the 1-ethyl-2-oxoindole substituent (in which the five-membered ring adopts a twisted conformation) as the ...via C—H O and C—H S hydrogen ...via ...
13
Bis(N′ {(E) [(2E) 1,3 diphenylprop 2 en 1 ylidene]amino} N ethylcarbamimidothioato κ2N′,S)zinc(II): crystal structure and Hirshfeld surface analysis
... N—H S bonds between the two independent ...and c, and for the Zn2-molecule in Fig. 4f and g, the hydrogen-bond donors and acceptors are represented by blue and red regions, ...
22
Benzyl N [(Z) (1 methyl 2 sulfanylpropylidene)amino]carbamodithioate
... other C—S bonds, and that indicates that it possesses a double bond character which further proves that the ligand exists in the thione tautomer in solid ...for C=N, 1.664 (2) Å for ...
8
1 (4 Methylphenylsulfonyl) 1H 1,2,3 benzotriazole: sheets built from C—H⋯N, C—H⋯O and C—H⋯π(arene) hydrogen bonds
... the bonds C4—C5 and C6—C7 are significantly shorter than the bonds C3A—C4, C5—C6 and C7—C7A; the cross-ring bond C3A—C7A, expected to be the longest bond in this ring is, in fact, one of the shorter ...the ...
7
(E) 3,4 Dihydroxybenzaldehyde 4 methylthiosemicarbazone
... with respect to the C N bond. The molecule is approximately planar, with an r.m.s. deviation from the mean plane through all 15 non-H atoms of 0.152 A ˚ ; the dihedral angle between the benzene ring plane ...
7
Crystal structure of 5 [2 (9H carbazol 9 yl)ethyl] 1,3,4 oxadiazole 2(3H) thione
... N— H S (orange), N—H O (dark blue) and C—H N (light blue) hydrogen bonds are drawn as coloured dashed ...lines. C—H contacts are shown as green dotted lines ...
9
1 Benzoyl 4 methylthiosemicarbazide
... The methylthiourea (S1/N2/N3/C8/C9), phenyl (C1–C6) and O1/C7/N1 fragments are each planar. The maximum deviation is 0.011 (3) Å for atom C1 in the phenyl group. The O1/C7/N1 fragment makes dihedral angles of 30.48 (16) ...
9
6 (2 Hydroxybenzoyl) 2 (4 methylphenyl) 5 methyl 7 phenylpyrazolo[1,5 a]pyrimidine: complex sheets built from C—H⋯N and C—H⋯O hydrogen bonds
... Data collection: COLLECT (Nonius, 1999); cell refinement: DENZO (Otwinowski & Minor, 1997) and COLLECT; data reduc- tion: DENZO and COLLECT; program(s) used to solve structure: SIR2004 (Burla et al., 2005); ...
9
Crystal structure of 2 [4 (4 chlorophenyl) 1 (4 methoxyphenyl) 2 oxoazetidin 3 yl]benzo[de]isoquinoline 1,3 dione dimethyl sulfoxide monosolvate
... intramolecular C—H O hydrogen bond closes an S(6) ring and helps to establish the near coplanarity of the -lactam and methoxybenzene ...by C—H O hydrogen bonds, ...
13
Crystal structure of 1,2,3,4 di O methylene α D galactopyranose
... shows S-configuration, in agreement with the expected configurations for an α-D- galactose ...The C–O and C–C and bond lengths in the molecule are comparable with the data from the crystal ...
9
Crystal structure analysis of [5 (4 methoxyphenyl) 2 methyl 2H 1,2,3 triazol 4 yl](thiophen 2 yl)methanone
... A deeper insight into intermolecular interactions can be obtained from molecular electrostatic potential (MESP), and two-dimensional fingerprint plots (McKinnon et al., 2007) mapped on the Hirshfeld surface (Spackman ...
9
(N,N Diisopropyldithiocarbamato)triphenyltin(IV): crystal structure, Hirshfeld surface analysis and computational study
... Sn—C bonds, Table 1, is also characterized from these Hirshfeld surfaces through the curvature of the red ...Sn—C bonds result in the large red regions on the shape-index mapping in ...ligand ...
13
The hydrogen bonding network in (E) 1,2 bis(1 ethylbenzimidazol 2 yl)ethene dihydrate
... In profile, columns of (II) along the b axis appear as slipped decks of equally spaced cards (Fig. 4). Adjacent columns are related to each other by the c-glide plane symmetry opera- tions. As a result, the ...
7
Bis(2,4,6 triaminopyrimidin 1 ium) sulfate pentahydrate
... protonation), or at the ring carbon atom (Demeter & Wéber, 2004; Németh et al., 2006). It can also act as a Lewis base in metal complex formation (Zamora et al., 1997; Louloudi et al., 1997; Jolibois et al., 1998; ...
15
Bis(piperazinium) di μ chloro pentachlorotriiododibismuthate(III) tetrahydrate
... The refinement of the Cl2/I2 site as single site fully occupied by either Cl or I alone resulted in a higher residual factor and unrea- sonably large or small displacement parameters and significantly elongated ...
10
(E,E) 1 [2 (4 Nitrophenyl)ethenyl] 4 [2 (2,4,6 trimethoxyphenyl)ethenyl]benzene
... The hot solution was filtered to remove the succinimide. The solvent was then partially evaporated and the precipitated yellow compound was collected by filtration in a yield of 63% [m.p. 383 K (uncorrected)]. ...
9
The crystal structure of 1 (2 iodobenzoyl) 4 (pyrimidin 2 yl)piperazine: a three dimensional hydrogen bonded framework, augmented by π–π stacking interactions and I⋯N halogen bonds
... The hydrogen bonds give rise to a three-dimensional network structure of considerable complexity, but this is readily analysed in terms of three one-dimensional sub- structures (Ferguson et ...two ...
10
The crystal structure of 1 (2 iodobenzoyl) 4 (pyrimidin 2 yl)piperazine : a three dimensional hydrogen bonded framework, augmented by π π stacking interactions and I···N halogen bonds
... a hydrogen-bonded chain of edge-fused rings parallel to the [001] ...direction. Hydrogen bonds are drawn as dashed lines and, for the sake of clarity, the H atoms not involved in the motif ...
10
Crystal structure of (4 cyanopyridine κN){5,10,15,20 tetrakis[4 (benzoyloxy)phenyl]porphyrinato κ4N}zinc–4 cyanopyridine (1/1)
... The C—H stretching frequencies of the porphyrin are in the range 3060–2860 cm 1 , the ester group of the meso-substituents of this porphyrin are identified by a strong band at 1736 cm 1 , (C O) ...
19