N, N′-bis(3-Chlorophenyl)urea

Jin Ling Wang; Ming Sun; Xiuhong Zhai; Fang Ming Miao

N, N′-bis(3-Chlorophenyl)urea

Jin Ling Wang, Ming Sun, Xiuhong Zhai, Fang Ming Miao

Hormel Institute

Research output: Contribution to journal › Article › peer-review

1 Scopus citations

Abstract

The title compound (C₁₃H₁₀N₂OCl₂, M_r = 281.13) was synthesized and its crystal structure was determined by X-ray analysis. The crystal belongs to orthorhombic system, space group P22₁2₁ with a = 4.589(1), b = 9.725(1), c = 14.385(1) Å, V = 642.0(7) Å³, Z = 2, D_c = 1.454Mg·m^-3, F(000) = 288, μ (MoKα) = 0.493mm^-1, final R = 0.0466, ωR = 0.1216 for 662 observable reflections with I>2σ(I). In the crystal of the title compound, the molecule has a crystallographic two-fold axis through C(1)-O(1) bond of the carbonyl group. The molecules in the crystal are linked together by a bifurcated N - H⋯O intermolecular hydrogen bond to form a ribbon extending along the a axis and the aromatic stock effect exists.

Original language	English (US)
Pages (from-to)	12-14
Number of pages	3
Journal	Jiegou Huaxue
Volume	20
Issue number	1
State	Published - Dec 1 2001

Keywords

Aromatic stock effect
Bifurcated intermolecular hydrogen bond
Crystal structure

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title = "N, N′-bis(3-Chlorophenyl)urea",

abstract = "The title compound (C13H10N2OCl2, Mr = 281.13) was synthesized and its crystal structure was determined by X-ray analysis. The crystal belongs to orthorhombic system, space group P22121 with a = 4.589(1), b = 9.725(1), c = 14.385(1) {\AA}, V = 642.0(7) {\AA}3, Z = 2, Dc = 1.454Mg·m-3, F(000) = 288, μ (MoKα) = 0.493mm-1, final R = 0.0466, ωR = 0.1216 for 662 observable reflections with I>2σ(I). In the crystal of the title compound, the molecule has a crystallographic two-fold axis through C(1)-O(1) bond of the carbonyl group. The molecules in the crystal are linked together by a bifurcated N - H⋯O intermolecular hydrogen bond to form a ribbon extending along the a axis and the aromatic stock effect exists.",

keywords = "Aromatic stock effect, Bifurcated intermolecular hydrogen bond, Crystal structure",

author = "Wang, {Jin Ling} and Ming Sun and Xiuhong Zhai and Miao, {Fang Ming}",

year = "2001",

month = dec,

day = "1",

language = "English (US)",

volume = "20",

pages = "12--14",

journal = "Jiegou Huaxue",

issn = "0254-5861",

publisher = "Fujian Institute of Research of the Structure of Matter",

number = "1",

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TY - JOUR

T1 - N, N′-bis(3-Chlorophenyl)urea

AU - Wang, Jin Ling

AU - Sun, Ming

AU - Zhai, Xiuhong

AU - Miao, Fang Ming

PY - 2001/12/1

Y1 - 2001/12/1

N2 - The title compound (C13H10N2OCl2, Mr = 281.13) was synthesized and its crystal structure was determined by X-ray analysis. The crystal belongs to orthorhombic system, space group P22121 with a = 4.589(1), b = 9.725(1), c = 14.385(1) Å, V = 642.0(7) Å3, Z = 2, Dc = 1.454Mg·m-3, F(000) = 288, μ (MoKα) = 0.493mm-1, final R = 0.0466, ωR = 0.1216 for 662 observable reflections with I>2σ(I). In the crystal of the title compound, the molecule has a crystallographic two-fold axis through C(1)-O(1) bond of the carbonyl group. The molecules in the crystal are linked together by a bifurcated N - H⋯O intermolecular hydrogen bond to form a ribbon extending along the a axis and the aromatic stock effect exists.

AB - The title compound (C13H10N2OCl2, Mr = 281.13) was synthesized and its crystal structure was determined by X-ray analysis. The crystal belongs to orthorhombic system, space group P22121 with a = 4.589(1), b = 9.725(1), c = 14.385(1) Å, V = 642.0(7) Å3, Z = 2, Dc = 1.454Mg·m-3, F(000) = 288, μ (MoKα) = 0.493mm-1, final R = 0.0466, ωR = 0.1216 for 662 observable reflections with I>2σ(I). In the crystal of the title compound, the molecule has a crystallographic two-fold axis through C(1)-O(1) bond of the carbonyl group. The molecules in the crystal are linked together by a bifurcated N - H⋯O intermolecular hydrogen bond to form a ribbon extending along the a axis and the aromatic stock effect exists.

KW - Aromatic stock effect

KW - Bifurcated intermolecular hydrogen bond

KW - Crystal structure

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M3 - Article

AN - SCOPUS:0347038041

VL - 20

SP - 12

EP - 14

JO - Jiegou Huaxue

JF - Jiegou Huaxue

SN - 0254-5861

IS - 1

ER -

N, N′-bis(3-Chlorophenyl)urea

Abstract

Keywords

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