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(E)-2-[2-(4-Chloro-benzyl-idene)hydrazin-yl]-4-[3-(morpholin-4-ium-4-yl)propyl-amino]-quinazolin-1-ium bis-(perchlorate).

ABSTRACT: In the title compound, C(22)H(27)ClN(6)O(2) (2+)·2ClO(4) (-), the mol-ecule adopts an E conformation about the C=N double bond. The quinazoline ring is approximately planar, with an r.m.s. deviation of 0.0432?Å, and forms a dihedral angle of 5.77?(4)° with the chloro-phenyl ring. The crystal packing features N-H?O hydrogen bonds.

SUBMITTER: Jiang N

PROVIDER: S-EPMC3379393 | biostudies-literature | 2012 Jun

REPOSITORIES: biostudies-literature

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(E)-2-[2-(4-Chloro-benzyl-idene)hydrazin-yl]-4-[3-(morpholin-4-ium-4-yl)propyl-amino]-quinazolin-1-ium bis-(perchlorate).

Jiang Nan N Zuo Jian J Zhu Wenmin W Zhao Xinjie X Zhai Xin X

Acta crystallographica. Section E, Structure reports online 20120519 Pt 6

In the title compound, C(22)H(27)ClN(6)O(2) (2+)·2ClO(4) (-), the mol-ecule adopts an E conformation about the C=N double bond. The quinazoline ring is approximately planar, with an r.m.s. deviation of 0.0432 Å, and forms a dihedral angle of 5.77 (4)° with the chloro-phenyl ring. The crystal packing features N-H⋯O hydrogen bonds. ...[more]

PMID: 22719591

Similar Datasets

(E)-2-[2-(4-Chloro-benzyl-idene)hydrazin-1-yl]-4-{[3-(dimethyl-aza-nium-yl)prop-yl]amino}-quinazolin-1-ium bis-(perchlorate).

Project description:In the title compound, C(20)H(25)ClN(6) (2+)·2ClO(4) (-), the organic cation is roughly planar, as shown by the dihedral angle of 3.78?(3)° between the quinazoline and chloro-phenyl rings. The quinazoline ring is itself approximately planar, with an average deviation of 0.018?(4)?Å. The organic cation adopts an E configuration with respect to the C= N double bond of the hyrazinyl group. The (dimethyl-aza-nium-yl)propyl-amino side chain is disordered over two sets of sites with occupancies of 0.768?(10) and 0.232?(10). In the crystal, two cations and four anions are linked by strong N-H?O hydrogen bonds. Weak C-H?O hydrogen bonds exist among these aggregates.

| S-EPMC3344656 | biostudies-literature

4-[(E)-2-(2-Chloro-benzyl-idene)hydrazin-1-yl]quinolin-1-ium chloride dihydrate.

Project description:In the title hydrated salt, C(16)H(13)ClN(3) (+)·Cl(-)·2H(2)O, a small twist is evident in the cation so that the chloro-benzene ring is not coplanar with the central hydrazinyl group [the N-C-C-C torsion angle = -4.8?(12)°]. The conformation about the imine N=C bond [1.284?(10)?Å] is E. The components of the structure are connected into a three-dimensional architecture via O-H?O, O-H?Cl and N-H?Cl hydrogen bonds. One water H atom is disposed over two sites of equal occupancy.

| S-EPMC3379418 | biostudies-literature

2-[(E)-2-(3,4-Di-chloro-benzyl-idene)hydrazin-1-yl]quinoxaline.

Project description:The 21 non-H atoms of the title compound, C15H10Cl2N4, are almost planar (r.m.s. deviation = 0.032?Å); the conformation about the N=C bond [1.277?(6)?Å] is E. In the crystal, zigzag supra-molecular chains along the c axis (glide symmetry) are formed via N-H?N hydrogen bonds. These associate along the b axis by ?-? inter-actions between the fused and terminal benzene rings [inter-centroid distance = 3.602?(3)?Å] so that layers form in the bc plane.

| S-EPMC3998292 | biostudies-literature

7-Chloro-4-[(E)-N'-(4-fluoro-benzyl-idene)hydrazin-yl]quinoline monohydrate.

Project description:The mol-ecule of the title hydrate, C(16)H(11)ClFN(3)·H(2)O, is slightly twisted, as indicated by the dihedral angle of 9.55?(10)° formed between the quinoline ring system and the benzene ring. The conformation about the C=N double bond is E, and the amine-H atom is oriented towards the quinoline residue. In the crystal structure, the water mol-ecule accepts an N-H?O and makes two O-H?N(quinoline) hydrogen bonds, generating a two-dimensional array in the ab plane, which is further stabilized by C-H?O inter-actions. The most significant contacts between layers are of the type C-H?F.

| S-EPMC2980273 | biostudies-literature

4-[(2'-Cyano-biphenyl-4-yl)meth-yl]morpholin-4-ium perchlorate.

Project description:In the title salt, C(18)H(19)N(2)O(+)·ClO(4) (-), the morpholinium ring adopts a chair conformation, while the two benzene rings make a dihedral angle of 62.65?(17)°. Inter-molecular N-H?N hydrogen bonds and weak C-H?O inter-actions occur in the crystal structure.

| S-EPMC3344166 | biostudies-literature

4-[(E)-2-(2,4-Dichloro-benzyl-idene)hydrazin-1-yl]quinolin-1-ium chloride monohydrate.

Project description:In the title hydrated salt, C(16)H(12)Cl(2)N(3) (+)·Cl(-)·H(2)O, there is a small twist in the cation as seen in the torsion angle linking the benzene ring to the rest of the mol-ecule [171.96?(17)°]. In the crystal, the quinolinium H atom forms a hydrogen bond to the lattice water mol-ecule, which also forms hydrogen bonds to two Cl(-) anions. Each Cl(-) ion also accepts a hydrogen bond from the hydrazine H atom. The three-dimensional architecture is also stabilized by ?-? inter-actions between centrosymmetrically related quinoline residues [centroid-centroid distance = 3.5574?(11)?Å].

| S-EPMC3344163 | biostudies-literature

7-Chloro-4-[(E)-2-(3,4,5-trimeth-oxy-benzyl-idene)hydrazin-1-yl]quinoline.

Project description:In the title compound, C(19)H(18)ClN(3)O(3), the r.m.s. deviation through the 23 non-H and non-meth-oxy atoms is 0.088?Å, indicating a planar mol-ecule with the exception of the meth-oxy groups. One meth-oxy group, surrounded on either side by the other meth-oxy groups, is almost normal to the benzene ring to which it is connected [C-O-C(ar)-C(ar) torsion angle = 81.64?(15)°]. In the crystal, N-H?O, C-H?O and ?-? inter-actions [between quinoline residues; centroid-centroid distance = 3.4375?(8)?Å] link mol-ecules into a three-dimensional architecture.

| S-EPMC3344149 | biostudies-literature

7-Chloro-4-[(E)-2-(2,5-dimeth-oxy-benzyl-idene)hydrazin-1-yl]quinoline.

Project description:In the nearly planar title compound (r.m.s. deviation for the 24 non-H atoms = 0.064?Å), C(18)H(16)ClN(3)O(2), the conformation about the N=C bond is E. Supra-molecular chains propagated by glide symmetry along [001] are found in the crystal packing. These are sustained by N-H?N hydrogen bonds with the quinoline N atom being the acceptor. The chains are connected into a three-dimensional architecture by ?-? inter-actions involving all three aromatic rings [centroid-centroid distances = 3.5650?(9)-3.6264?(9)?Å].

| S-EPMC3344174 | biostudies-literature

7-Chloro-4-[(E)-2-(2-methoxy-benzyl-idene)hydrazin-1-yl]quinoline monohydrate.

Project description:In the title hydrate, C(17)H(14)ClN(3)O·H(2)O, the dihedral angle between the quinoline fused-ring system and the benzene ring is 13.4?(2)° and the conformation about the C=N bond is E. In the crystal, N(h)-H?O(w) and O(w)-H?N(q) (h = hydro-zone, w = water and q = quinoline) hydrogen bonds generate a two-dimenstional network in the ac plane. A weak C-H?O inter-action helps to consolidate the packing.

| S-EPMC2983501 | biostudies-literature

7-Chloro-4-[(E)-2-(4-methoxy-benzyl-idene)hydrazin-1-yl]quinoline monohydrate.

Project description:The organic mol-ecule in the title hydrate, C(17)H(14)ClN(3)O·H(2)O, has a small but significant twist from planarity, as seen in the dihedral angle of 12.10?(17)° between the quinoline and benzene rings. The conformation about the C=N bond is E. Chains along the b axis are formed in the crystal structure aided by water-quinoline O-H?N (× 2) and hydrazone-water N-H?O hydrogen bonds. Layers of these chains stack along the a axis via C-H?? and ?-? inter-actions [ring centroid-ring centroid distance = 3.674?(2)?Å]. C-H?O inter-actions are also present.

| S-EPMC2983656 | biostudies-literature

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