Poly[[(μ2-2-amino-4,5-dimethybenzene­sulfonato-κ2N:O)(μ2-2-methyl­pyrazine-κ2N:N′)silver(I)] monohydrate]

Dong, X.-W.; Li, Y.-J.

doi:10.1107/S1600536807063672

metal-organic compounds

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Volume 64| Part 1| January 2008| Page m80

https://doi.org/10.1107/S1600536807063672

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Poly[[(μ₂-2-amino-4,5-dimethybenzenesulfonato-κ²N:O)(μ₂-2-methylpyrazine-κ²N:N′)silver(I)] monohydrate]

Xian-Wu Dong ^a ^* and Yu-Jie Li ^a

^aJilin Agricultural Science and Technology College, Jilin 132000, People's Republic of China
^*Correspondence e-mail: hljwuhua@163.com

(Received 23 November 2007; accepted 27 November 2007; online 6 December 2007)

In the title compound, {[Ag(C₈H₁₀NO₃S)(C₇H₆N₂)]·H₂O}_n, each Ag^I cation is four-coordinated by three N atoms from two different 2-methylpyrazine ligands and one –NH₂ group of a 2-amino-4,5-dimethybenzenesulfonate ligand, and by one sulfonate O atom, in a distorted tetrahedral coordination geometry. The Ag^I centres are bridged by both types of ligands, forming a two-dimensional network. N—H⋯O hydrogen bonds and O⋯O interactions complete the structure.

Related literature

For related literature, see: Cote & Shimizu (2004 ); Li et al. (2005 ); Liu et al. (2007 ).

Experimental

Crystal data

[Ag(C₈H₁₀NO₃S)(C₇H₆N₂)]·H₂O
M_r = 420.23
Orthorhombic, P 2₁ 2₁ 2₁
a = 7.2340 (4) Å
b = 11.7610 (5) Å
c = 18.913 (1) Å
V = 1609.10 (14) Å³
Z = 4
Mo Kα radiation
μ = 1.40 mm⁻¹
T = 292 (2) K
0.35 × 0.29 × 0.25 mm

Data collection

Rigaku R-AXIS RAPID diffractometer
Absorption correction: multi-scan (ABSCOR; Higashi, 1995 ) T_min = 0.615, T_max = 0.711
13881 measured reflections
3667 independent reflections
3083 reflections with I > 2σ(I)
R_int = 0.053

Refinement

R[F² > 2σ(F²)] = 0.032
wR(F²) = 0.085
S = 1.02
3667 reflections
207 parameters
4 restraints
H atoms treated by a mixture of independent and constrained refinement
Δρ_max = 0.50 e Å⁻³
Δρ_min = −0.58 e Å⁻³
Absolute structure: Flack (1983 ), 1369 Friedel pairs
Flack parameter: 0.00 (3)

Table 1
Selected geometric parameters (Å, °)

Ag1—N2	2.243 (3)
Ag1—N1	2.301 (4)
Ag1—N3ⁱ	2.469 (4)
Ag1—O3ⁱⁱ	2.525 (3)

N2—Ag1—N1	141.78 (13)
N2—Ag1—N3ⁱ	102.19 (12)
N1—Ag1—N3ⁱ	98.44 (13)
N2—Ag1—O3ⁱⁱ	125.98 (12)
N1—Ag1—O3ⁱⁱ	87.53 (14)
N3ⁱ—Ag1—O3ⁱⁱ	84.57 (12)
Symmetry codes: (i) $[-x+1, y+{\script{1\over 2}}, -z+{\script{1\over 2}}]$ ; (ii) x+1, y, z.

Table 2
Hydrogen-bond geometry (Å, °)

D—H⋯A	D—H	H⋯A	D⋯A	D—H⋯A
N1—H2N⋯O2	0.82 (3)	2.36 (4)	2.982 (5)	133 (4)
N1—H1N⋯O1Wⁱⁱ	0.82 (5)	2.15 (5)	2.946 (5)	164 (5)
Symmetry code: (ii) x+1, y, z.

Data collection: PROCESS-AUTO (Rigaku, 1998 ); cell refinement: PROCESS-AUTO; data reduction: PROCESS-AUTO; program(s) used to solve structure: SHELXS97 (Sheldrick, 1997 ); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: SHELXTL-Plus (Sheldrick, 1990 ); software used to prepare material for publication: SHELXL97.

Supporting information

Crystal structure: contains datablocks I, global. DOI: https://doi.org/10.1107/S1600536807063672/ci2532sup1.cif

Structure factors: contains datablock I. DOI: https://doi.org/10.1107/S1600536807063672/ci2532Isup2.hkl

checkCIF report

Comment top

Silver(I) sulfonate coordination polymers have received much attention for their interesting structural features and potential applications (Cote & Shimizu, 2004). Recently, silver(I) sulfonate compounds with nitrogen-based secondary ligands have been reported (Li et al., 2005). We report here the crystal structure of the title compound.

Selected geometric parameters are listed in Table 1. The Ag^I cation is four-coordinated by three N atoms from two different 2-methylpyrazine ligands and one –NH₂ group of anion, and one sulfonate O atom in a distorted tetrahedral coordination geometry (Fig.1). The Ag—N distances in the title compound are similar to those in related compounds (Liu et al., 2007). The Ag^I centers are doubly bridged by both types of ligands to form a two-dimensional network (Fig.2), which are linked via N—H···O hydrogen bonds (Table 2) and O···O interacitons into a three-dimensional framework (Fig.3).

Related literature top

For related literature, see: Cote & Shimizu (2004); Li et al. (2005); Liu et al. (2007).

Experimental top

An aqueous solution (10 ml) of 2-amino-4,5-dimethylbenzenesulfonic acid (1 mmol) was added to solid Ag₂CO₃ (0.5 mmol) and stirred for several minutes until no further CO₂ was given off. 2-Methylpyrazine (1 mmol) was then added and a precipitate was formed. The precipitate was dissolved by ammonium hydroxide. Crystals of the title compound were obtained by slow evaporation of the solution at room temperature for 7 d.

Structure description top

For related literature, see: Cote & Shimizu (2004); Li et al. (2005); Liu et al. (2007).

Computing details top

Data collection: PROCESS-AUTO (Rigaku, 1998); cell refinement: PROCESS-AUTO (Rigaku, 1998); data reduction: PROCESS-AUTO (Rigaku, 1998); program(s) used to solve structure: SHELXS97 (Sheldrick, 1997); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: SHELXTL-Plus (Sheldrick, 1990); software used to prepare material for publication: SHELXL97 (Sheldrick, 1997).

Figures top

	Fig. 1. The coordination environment of atom Ag1 in the title compound, showing 30% probability displacement ellipsoids [Symmetry codes: (i) -x + 1, y + 1/2, -z + 1/2; (ii) x + 1, y, z].
	Fig. 2. View of a two-dimensional network in the title compound.
	Fig. 3. Part of the three-dimensional network of the title compound. Hydrogen bonds are shown as dashed lines. H atoms not involved in hydrogen-bonding interactions have been omitted.

Poly[[(µ₂-2-amino-4,5-dimethybenzenesulfonato-κ²N:O)(µ₂-2- methylpyrazine-κ²N:N')silver(I)] monohydrate] top

Crystal data top

[Ag(C₈H₁₀NO₃S)(C₇H₆N₂)]·H₂O	F(000) = 848
M_r = 420.23	D_x = 1.735 Mg m⁻³
Orthorhombic, P2₁2₁2₁	Mo Kα radiation, λ = 0.71069 Å
Hall symbol: P 2ac 2ab	Cell parameters from 3667 reflections
a = 7.2340 (4) Å	θ = 2.0–27.5°
b = 11.7610 (5) Å	µ = 1.40 mm⁻¹
c = 18.913 (1) Å	T = 292 K
V = 1609.10 (14) Å³	Block, yellow
Z = 4	0.35 × 0.29 × 0.25 mm

Data collection top

Rigaku R-AXIS RAPID diffractometer	3667 independent reflections
Radiation source: fine-focus sealed tube	3083 reflections with I > 2σ(I)
Graphite monochromator	R_int = 0.053
ω scans	θ_max = 27.5°, θ_min = 2.0°
Absorption correction: multi-scan (ABSCOR; Higashi, 1995)	h = −9→9
T_min = 0.615, T_max = 0.711	k = −15→15
13881 measured reflections	l = −24→24

Refinement top

Refinement on F²	Secondary atom site location: difference Fourier map
Least-squares matrix: full	Hydrogen site location: inferred from neighbouring sites
R[F² > 2σ(F²)] = 0.032	H atoms treated by a mixture of independent and constrained refinement
wR(F²) = 0.085	w = 1/[σ²(F_o²) + (0.0492P)²] where P = (F_o² + 2F_c²)/3
S = 1.02	(Δ/σ)_max = 0.001
3667 reflections	Δρ_max = 0.50 e Å⁻³
207 parameters	Δρ_min = −0.58 e Å⁻³
4 restraints	Absolute structure: Flack (1983), with 1369 Friedel pairs
Primary atom site location: structure-invariant direct methods	Absolute structure parameter: 0.00 (3)

Crystal data top

[Ag(C₈H₁₀NO₃S)(C₇H₆N₂)]·H₂O	V = 1609.10 (14) Å³
M_r = 420.23	Z = 4
Orthorhombic, P2₁2₁2₁	Mo Kα radiation
a = 7.2340 (4) Å	µ = 1.40 mm⁻¹
b = 11.7610 (5) Å	T = 292 K
c = 18.913 (1) Å	0.35 × 0.29 × 0.25 mm

Data collection top

Rigaku R-AXIS RAPID diffractometer	3667 independent reflections
Absorption correction: multi-scan (ABSCOR; Higashi, 1995)	3083 reflections with I > 2σ(I)
T_min = 0.615, T_max = 0.711	R_int = 0.053
13881 measured reflections

Refinement top

R[F² > 2σ(F²)] = 0.032	H atoms treated by a mixture of independent and constrained refinement
wR(F²) = 0.085	Δρ_max = 0.50 e Å⁻³
S = 1.02	Δρ_min = −0.58 e Å⁻³
3667 reflections	Absolute structure: Flack (1983), with 1369 Friedel pairs
207 parameters	Absolute structure parameter: 0.00 (3)
4 restraints

Special details top

Geometry. All e.s.d.'s (except the e.s.d. in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell e.s.d.'s are taken into account individually in the estimation of e.s.d.'s in distances, angles and torsion angles; correlations between e.s.d.'s in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell e.s.d.'s is used for estimating e.s.d.'s involving l.s. planes.

Refinement. Refinement of F² against ALL reflections. The weighted R-factor wR and goodness of fit S are based on F², conventional R-factors R are based on F, with F set to zero for negative F². The threshold expression of F² > σ(F²) is used only for calculating R-factors(gt) etc. and is not relevant to the choice of reflections for refinement. R-factors based on F² are statistically about twice as large as those based on F, and R- factors based on ALL data will be even larger.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å²) top

	x	y	z	U_iso*/U_eq
Ag1	0.57509 (5)	0.32306 (3)	0.368222 (17)	0.04386 (11)
C1	0.1920 (5)	0.5165 (3)	0.4190 (2)	0.0308 (8)
C2	0.1248 (6)	0.6189 (4)	0.3919 (2)	0.0393 (10)
H2	0.0045	0.6211	0.3746	0.047*
C3	0.2286 (7)	0.7160 (4)	0.3898 (2)	0.0444 (11)
C4	0.4079 (8)	0.7131 (4)	0.4174 (2)	0.0455 (11)
C5	0.4746 (6)	0.6123 (4)	0.4454 (2)	0.0408 (10)
H5	0.5927	0.6113	0.4647	0.049*
C6	0.3719 (5)	0.5128 (3)	0.4457 (2)	0.0316 (9)
C7	0.5321 (8)	0.8154 (5)	0.4164 (3)	0.0684 (16)
H7A	0.4744	0.8765	0.4418	0.103*
H7B	0.5535	0.8383	0.3684	0.103*
H7C	0.6478	0.7967	0.4384	0.103*
C8	0.1486 (9)	0.8237 (4)	0.3565 (3)	0.0723 (16)
H8A	0.1767	0.8879	0.3859	0.108*
H8B	0.0169	0.8160	0.3521	0.108*
H8C	0.2018	0.8347	0.3105	0.108*
C9	0.3884 (6)	0.1510 (4)	0.2665 (2)	0.0455 (12)
H10	0.2963	0.2058	0.2704	0.055*
C10	0.3556 (7)	0.0582 (4)	0.2262 (3)	0.0493 (12)
H11	0.2415	0.0505	0.2040	0.059*
C11	0.6419 (6)	−0.0062 (4)	0.2511 (2)	0.0413 (10)
H12	0.7349	−0.0602	0.2459	0.050*
C12	0.6755 (6)	0.0873 (4)	0.2934 (2)	0.0410 (10)
C13	0.8545 (8)	0.1001 (6)	0.3321 (4)	0.078 (2)
H24A	0.8528	0.1694	0.3590	0.117*
H24B	0.9545	0.1024	0.2988	0.117*
H24C	0.8712	0.0368	0.3635	0.117*
N1	0.4536 (5)	0.4089 (3)	0.46717 (18)	0.0371 (8)
N2	0.5462 (5)	0.1673 (3)	0.30075 (16)	0.0366 (8)
N3	0.4829 (5)	−0.0226 (3)	0.21749 (19)	0.0435 (9)
O1	0.1454 (4)	0.3189 (3)	0.36351 (17)	0.0529 (8)
O2	0.0582 (5)	0.3433 (3)	0.48525 (17)	0.0518 (8)
O3	−0.1281 (4)	0.4287 (3)	0.3932 (2)	0.0573 (9)
O1W	−0.2470 (5)	0.4027 (3)	0.57266 (16)	0.0484 (8)
S1	0.05493 (14)	0.39276 (9)	0.41453 (6)	0.0369 (2)
H1N	0.539 (7)	0.421 (4)	0.495 (2)	0.055*
H2N	0.383 (6)	0.362 (3)	0.485 (2)	0.055*

Atomic displacement parameters (Å²) top

	U¹¹	U²²	U³³	U¹²	U¹³	U²³
Ag1	0.04702 (19)	0.03504 (16)	0.04951 (17)	0.00277 (16)	−0.00239 (16)	−0.00726 (15)
C1	0.029 (2)	0.030 (2)	0.0339 (19)	−0.0029 (17)	0.0002 (16)	0.0016 (16)
C2	0.036 (2)	0.036 (2)	0.046 (2)	0.0036 (18)	−0.0017 (17)	−0.0005 (18)
C3	0.057 (3)	0.030 (2)	0.046 (2)	0.003 (2)	−0.003 (2)	0.0004 (18)
C4	0.054 (3)	0.037 (2)	0.045 (2)	−0.011 (2)	0.001 (2)	−0.0067 (18)
C5	0.036 (2)	0.041 (2)	0.045 (2)	−0.006 (2)	0.0013 (18)	−0.0043 (18)
C6	0.027 (2)	0.034 (2)	0.0334 (19)	0.0037 (17)	−0.0002 (15)	−0.0014 (16)
C7	0.078 (4)	0.050 (3)	0.077 (3)	−0.026 (3)	−0.005 (3)	0.002 (3)
C8	0.087 (4)	0.033 (2)	0.097 (4)	0.002 (3)	−0.014 (3)	0.012 (3)
C9	0.038 (3)	0.049 (3)	0.049 (2)	0.009 (2)	−0.0029 (19)	−0.012 (2)
C10	0.040 (2)	0.058 (3)	0.050 (3)	0.007 (2)	−0.012 (2)	−0.016 (2)
C11	0.038 (2)	0.036 (2)	0.050 (2)	0.0044 (19)	−0.001 (2)	−0.007 (2)
C12	0.039 (2)	0.038 (2)	0.046 (2)	−0.001 (2)	0.000 (2)	−0.001 (2)
C13	0.050 (3)	0.066 (4)	0.118 (5)	0.006 (3)	−0.031 (3)	−0.032 (4)
N1	0.031 (2)	0.0407 (19)	0.0398 (18)	0.0009 (16)	−0.0075 (16)	0.0044 (15)
N2	0.0350 (19)	0.0370 (18)	0.0377 (16)	−0.0004 (19)	0.0021 (14)	−0.0052 (15)
N3	0.047 (2)	0.041 (2)	0.0423 (19)	−0.0042 (19)	−0.0043 (17)	−0.0079 (16)
O1	0.0533 (18)	0.0402 (16)	0.0653 (19)	−0.0123 (17)	0.0106 (17)	−0.0140 (19)
O2	0.0434 (18)	0.049 (2)	0.0626 (18)	−0.0032 (17)	0.0058 (15)	0.0194 (15)
O3	0.0284 (16)	0.048 (2)	0.095 (3)	−0.0068 (14)	−0.0196 (16)	0.0175 (18)
O1W	0.0428 (18)	0.0499 (19)	0.0526 (18)	0.0038 (16)	−0.0054 (15)	0.0033 (15)
S1	0.0255 (5)	0.0328 (5)	0.0524 (6)	−0.0029 (4)	−0.0004 (5)	0.0053 (4)

Geometric parameters (Å, º) top

Ag1—N2	2.243 (3)	C8—H8C	0.96
Ag1—N1	2.301 (4)	C9—N2	1.326 (6)
Ag1—N3ⁱ	2.469 (4)	C9—C10	1.353 (7)
Ag1—O3ⁱⁱ	2.525 (3)	C9—H10	0.9300
C1—C2	1.396 (6)	C10—N3	1.333 (6)
C1—C6	1.396 (6)	C10—H11	0.93
C1—S1	1.763 (4)	C11—N3	1.329 (5)
C2—C3	1.368 (6)	C11—C12	1.381 (6)
C2—H2	0.93	C11—H12	0.93
C3—C4	1.399 (8)	C12—N2	1.334 (6)
C3—C8	1.528 (7)	C12—C13	1.495 (7)
C4—C5	1.386 (6)	C13—H24A	0.96
C4—C7	1.501 (7)	C13—H24B	0.96
C5—C6	1.386 (6)	C13—H24C	0.96
C5—H5	0.93	N1—H1N	0.82 (5)
C6—N1	1.417 (5)	N1—H2N	0.82 (3)
C7—H7A	0.96	N3—Ag1ⁱⁱⁱ	2.469 (4)
C7—H7B	0.96	O1—S1	1.454 (3)
C7—H7C	0.96	O2—S1	1.459 (3)
C8—H8A	0.96	O3—S1	1.448 (3)
C8—H8B	0.96	O3—Ag1^iv	2.525 (3)

N2—Ag1—N1	141.78 (13)	N2—C9—H10	118.6
N2—Ag1—N3ⁱ	102.19 (12)	C10—C9—H10	118.6
N1—Ag1—N3ⁱ	98.44 (13)	N3—C10—C9	121.6 (4)
N2—Ag1—O3ⁱⁱ	125.98 (12)	N3—C10—H11	119.2
N1—Ag1—O3ⁱⁱ	87.53 (14)	C9—C10—H11	119.2
N3ⁱ—Ag1—O3ⁱⁱ	84.57 (12)	N3—C11—C12	123.1 (4)
C2—C1—C6	119.0 (4)	N3—C11—H12	118.5
C2—C1—S1	119.9 (3)	C12—C11—H12	118.5
C6—C1—S1	121.0 (3)	N2—C12—C11	119.9 (4)
C3—C2—C1	122.7 (4)	N2—C12—C13	119.0 (4)
C3—C2—H2	118.7	C11—C12—C13	121.1 (4)
C1—C2—H2	118.7	C12—C13—H24A	109.5
C2—C3—C4	118.6 (4)	C12—C13—H24B	109.5
C2—C3—C8	119.8 (5)	H24A—C13—H24B	109.5
C4—C3—C8	121.7 (4)	C12—C13—H24C	109.5
C5—C4—C3	119.1 (4)	H24A—C13—H24C	109.5
C5—C4—C7	118.8 (5)	H24B—C13—H24C	109.5
C3—C4—C7	122.1 (4)	C6—N1—Ag1	107.7 (2)
C4—C5—C6	122.5 (4)	C6—N1—H1N	111 (4)
C4—C5—H5	118.7	Ag1—N1—H1N	108 (3)
C6—C5—H5	118.7	C6—N1—H2N	116 (3)
C5—C6—C1	118.1 (4)	Ag1—N1—H2N	107 (3)
C5—C6—N1	120.4 (4)	H1N—N1—H2N	108 (4)
C1—C6—N1	121.3 (4)	C9—N2—C12	116.8 (4)
C4—C7—H7A	109.5	C9—N2—Ag1	118.4 (3)
C4—C7—H7B	109.5	C12—N2—Ag1	124.8 (3)
H7A—C7—H7B	109.5	C11—N3—C10	115.8 (4)
C4—C7—H7C	109.5	C11—N3—Ag1ⁱⁱⁱ	124.6 (3)
H7A—C7—H7C	109.5	C10—N3—Ag1ⁱⁱⁱ	119.2 (3)
H7B—C7—H7C	109.5	S1—O3—Ag1^iv	133.33 (19)
C3—C8—H8A	109.5	O3—S1—O1	113.6 (2)
C3—C8—H8B	109.5	O3—S1—O2	112.8 (2)
H8A—C8—H8B	109.5	O1—S1—O2	111.3 (2)
C3—C8—H8C	109.5	O3—S1—C1	106.66 (19)
H8A—C8—H8C	109.5	O1—S1—C1	105.76 (18)
H8B—C8—H8C	109.5	O2—S1—C1	106.0 (2)
N2—C9—C10	122.8 (4)

C6—C1—C2—C3	0.6 (6)	C10—C9—N2—Ag1	−178.1 (4)
S1—C1—C2—C3	−175.8 (4)	C11—C12—N2—C9	0.6 (6)
C1—C2—C3—C4	−1.5 (7)	C13—C12—N2—C9	−178.7 (5)
C1—C2—C3—C8	177.4 (5)	C11—C12—N2—Ag1	179.1 (3)
C2—C3—C4—C5	0.4 (7)	C13—C12—N2—Ag1	−0.2 (6)
C8—C3—C4—C5	−178.4 (5)	N1—Ag1—N2—C9	63.6 (4)
C2—C3—C4—C7	179.3 (5)	N3ⁱ—Ag1—N2—C9	−57.6 (3)
C8—C3—C4—C7	0.4 (7)	O3ⁱⁱ—Ag1—N2—C9	−149.7 (3)
C3—C4—C5—C6	1.6 (7)	N1—Ag1—N2—C12	−114.9 (3)
C7—C4—C5—C6	−177.3 (4)	N3ⁱ—Ag1—N2—C12	124.0 (3)
C4—C5—C6—C1	−2.5 (6)	O3ⁱⁱ—Ag1—N2—C12	31.8 (4)
C4—C5—C6—N1	172.5 (4)	C12—C11—N3—C10	0.8 (7)
C2—C1—C6—C5	1.4 (6)	C12—C11—N3—Ag1ⁱⁱⁱ	173.4 (3)
S1—C1—C6—C5	177.7 (3)	C9—C10—N3—C11	0.4 (7)
C2—C1—C6—N1	−173.6 (4)	C9—C10—N3—Ag1ⁱⁱⁱ	−172.7 (4)
S1—C1—C6—N1	2.8 (5)	Ag1^iv—O3—S1—O1	62.2 (4)
N2—C9—C10—N3	−1.1 (8)	Ag1^iv—O3—S1—O2	−65.6 (4)
N3—C11—C12—N2	−1.3 (7)	Ag1^iv—O3—S1—C1	178.4 (3)
N3—C11—C12—C13	177.9 (5)	C2—C1—S1—O3	−10.7 (4)
C5—C6—N1—Ag1	−90.6 (4)	C6—C1—S1—O3	172.9 (3)
C1—C6—N1—Ag1	84.2 (4)	C2—C1—S1—O1	110.6 (3)
N2—Ag1—N1—C6	−116.6 (3)	C6—C1—S1—O1	−65.8 (4)
N3ⁱ—Ag1—N1—C6	5.7 (3)	C2—C1—S1—O2	−131.2 (3)
O3ⁱⁱ—Ag1—N1—C6	89.8 (3)	C6—C1—S1—O2	52.5 (4)
C10—C9—N2—C12	0.5 (7)

Symmetry codes: (i) −x+1, y+1/2, −z+1/2; (ii) x+1, y, z; (iii) −x+1, y−1/2, −z+1/2; (iv) x−1, y, z.

Hydrogen-bond geometry (Å, º) top

D—H···A	D—H	H···A	D···A	D—H···A
N1—H2N···O2	0.82 (3)	2.36 (4)	2.982 (5)	133 (4)
N1—H1N···O1Wⁱⁱ	0.82 (5)	2.15 (5)	2.946 (5)	164 (5)

Symmetry code: (ii) x+1, y, z.

Experimental details

Crystal data
Chemical formula	[Ag(C₈H₁₀NO₃S)(C₇H₆N₂)]·H₂O
M_r	420.23
Crystal system, space group	Orthorhombic, P2₁2₁2₁
Temperature (K)	292
a, b, c (Å)	7.2340 (4), 11.7610 (5), 18.913 (1)
V (Å³)	1609.10 (14)
Z	4
Radiation type	Mo Kα
µ (mm⁻¹)	1.40
Crystal size (mm)	0.35 × 0.29 × 0.25

Data collection
Diffractometer	Rigaku R-AXIS RAPID
Absorption correction	Multi-scan (ABSCOR; Higashi, 1995)
T_min, T_max	0.615, 0.711
No. of measured, independent and observed [I > 2σ(I)] reflections	13881, 3667, 3083
R_int	0.053
(sin θ/λ)_max (Å⁻¹)	0.649

Refinement
R[F² > 2σ(F²)], wR(F²), S	0.032, 0.085, 1.02
No. of reflections	3667
No. of parameters	207
No. of restraints	4
H-atom treatment	H atoms treated by a mixture of independent and constrained refinement
Δρ_max, Δρ_min (e Å⁻³)	0.50, −0.58
Absolute structure	Flack (1983), with 1369 Friedel pairs
Absolute structure parameter	0.00 (3)

Computer programs: PROCESS-AUTO (Rigaku, 1998), SHELXS97 (Sheldrick, 1997), SHELXL97 (Sheldrick, 1997), SHELXTL-Plus (Sheldrick, 1990).

Selected geometric parameters (Å, º) top

Ag1—N2	2.243 (3)	Ag1—N3ⁱ	2.469 (4)
Ag1—N1	2.301 (4)	Ag1—O3ⁱⁱ	2.525 (3)

N2—Ag1—N1	141.78 (13)	N2—Ag1—O3ⁱⁱ	125.98 (12)
N2—Ag1—N3ⁱ	102.19 (12)	N1—Ag1—O3ⁱⁱ	87.53 (14)
N1—Ag1—N3ⁱ	98.44 (13)	N3ⁱ—Ag1—O3ⁱⁱ	84.57 (12)

Symmetry codes: (i) −x+1, y+1/2, −z+1/2; (ii) x+1, y, z.

Hydrogen-bond geometry (Å, º) top

D—H···A	D—H	H···A	D···A	D—H···A
N1—H2N···O2	0.82 (3)	2.36 (4)	2.982 (5)	133 (4)
N1—H1N···O1Wⁱⁱ	0.82 (5)	2.15 (5)	2.946 (5)	164 (5)

Symmetry code: (ii) x+1, y, z.

Acknowledgements

The authors thank the Science Foundation for Young Teachers of Northeast Normal University (grant No. 20070314) for support.

References

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