Redetermination of phenyl-hydrazinium chloride.
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ABSTRACT:
SUBMITTER: de Lima GM
PROVIDER: S-EPMC2924219 | biostudies-literature |
REPOSITORIES: biostudies-literature
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Project description:In the title compound, C12H13N2 (+)·Cl(-), the chloride salt of 1,1'-di-phenyl-hydrazine, the phenyl rings are inclined to one another by 78.63?(17)°. The N-(+)NH3 bond lengths is 1.445?(3)?Å, and the N-Cphen-yl bond lengths are 1.435?(3) and 1.447?(4)?Å. In the crystal, mol-ecules are linked via N-H?Cl hydrogen bonds, forming chains along [10-1], which enclose two adjacent R (4) 2(6) ring motifs. The chains are reinforced by C-H?Cl hydrogen bonds.
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Project description:In the title compound, C(2)H(7)N(2)O(2) (+)·Cl(-)·H(2)O, the non-H atoms of the cation are approximately coplanar. The organic cations, chloride ions and water mol-ecules are linked into a two-dimensional network parallel to the bc plane by N-H?O, N-H?Cl and O-H?Cl hydrogen bonds.
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Project description:In the crystal structure of the title compound, C6H8N3O2 (+)·C6H2N3O7 (-)·H2O, N-H?O and O-H?O hydrogen bonds link the components into a two-dimensional network parallel to (010). In addition, there are pairs of weak inversion-related C-H?O hydrogen bonds within the two-dimensional network. The three nitro groups are twisted by 1.6?(3), 7.8?(3) and 12.1?(3)° from the ring plane in the anion, while in the cation, the nitro group makes a dihedral angle of 4.6?(2)° with the ring.
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Project description:In the cation of the title compound, C(8)H(10)ClN(4)O(+)·Cl(-)·H(2)O, the guanidinium group is planar (maximum deviation = 0.0001?Å) and nearly perpendicular to carboxamide group, making a dihedral angle of 87.0?(3)°. The N atoms of the guanidine fragment have a planar trigonal configuration and the N atom of the carboxamide group adopts a pyramidal configuration. In the crystal structure, inter-molecular N-H?O, N-H?Cl and O-H?Cl hydrogen bonds link the cations, anions and water mol-ecules into layers parallel to the bc plane.
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Project description:The title compound, K(2)[SnCl(3)]Cl·H(2)O, is the prototype of some isostructural compounds of composition M(2)[SnX(3)]X·H(2)O (M = large monovalent cation; X = halogen). In comparison with a previous study based on photographic data [Kamenar & Grdeni? (1962 ?). J. Inorg. Nucl. Chem.24, 1039-1045], its crystal structure has now been redetermined using CCD-based data in order to gain more accurate values for bond lengths and angles within the [SnCl(3)](-) anion and to locate the H atoms. The [SnCl(3)](-) anion has a trigonal-pyramidal shape and exhibits crystallographic mirror symmetry. With the exception of the K(+) ion which is located on a general position, all other atoms are situated on crystallographic mirror planes. The coordination polyhedron of the cation may be described by means of nine atoms in the form of a monocapped square anti-prism with seven typical K-Cl/O distances and two additional atoms at considerably longer distances. The positions of the H atoms of the water mol-ecule (also lying on a crystallographic mirror plane) could be determined and confirm the existence of a bifurcated O-H?Cl hydrogen bond to neighbouring Cl atoms.
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Project description:The crystal structure of the title compound, C(7)H(14)NO(2) (+)·Cl(-), was reported previously [Chacko, Srinivasan & Zand (1975 ?). J. Cryst. Mol. Struct.5, 353-357] from Weissenberg photographic data with R = 0.113. It has now been redetermined, providing a significant increase in the precision of the derived geometric parameters, viz. mean ?(C-C) = 0.003?Å in the present work compared with 0.021?Å for the previous work. The complete cation is generated by crystallographic mirrror symmetry, with three C atoms, two O atoms and the N atom lying on the reflecting plane; the chloride anion also has m site symmetry. The crystal structure is established by a two-dimensional network of O-H?Cl and N-H?Cl hydrogen bonds, generating C(1) (2)(4) and C(1) (2)(7) chains, and R(2) (4)(8) and R(2) (4)(14) rings.
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Project description:The asymmetric unit of the title compound, C18H15ClTe, contains two mol-ecules which are in inverted orientations. The compound displays a tetra-hedral geometry around the Te atom in spite of there being five electron domains. This is attributed to the fact that the lone pair is not sterically active. The dihedral angles between the three phenyl rings are 76.51?(16)/73.75?(16)/71.06?(17) and 78.60?(17)/77.67?(16)/79.11?(16)° in the two mol-ecules. The crystal packing features eight C-H?? inter-actions.
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Project description:In the title hydrated molecular salt, C(9)H(9)N(2) (+)·Cl(-)·H(2)O, the dihedral angle between the five- and six-membered rings in the cation is 18.00?(2)°. O-H?Cl, N-H?O and N-H?Cl hrdrogen-bonding inter-actions are present in the crystal structure.
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Project description:In the title mol-ecular salt, C6H10N2 (2+)·NO3 (-)·Cl(-), the complete cation is generated by a crystallographic mirror plane. The complete nitrate ion is also generated by reflection, with the N atom and one O atom lying on the mirror plane; the chloride ion also lies on the reflection plane. In the crystal, the components are linked by N-H?Cl and N-H?(N,O) hydrogen bonds, forming (001) layers with the benzene rings projecting into the inter-layer regions. The layers are linked by weak C-H?O hydrogen bonds, generating a three-dimensional network.
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Project description:The title compound, C(19)H(16)N(2)O(2)S, was synthesized from furoyl isothio-cyanate and N-benzyl-aniline in dry acetone and the structure redetermined. The structure [Otazo-Sánchez et al. (2001 ?). J. Chem. Soc. Perkin Trans. 2, pp. 2211-2218] has been re-determined in order to establish the intramolecular and intermolecular inter-actions. The thio-urea group is in the thio-amide form. The thio-urea group makes a dihedral angle of 29.2?(6)° with the furoyl group. In the crystal structure, mol-ecules are linked by inter-molecular C-H?O inter-actions, forming one-dimensional chains along the a axis. An intra-molecular N-H?O hydrogen bond is also present.
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